SCHEMBL12197841

SCHEMBL12197841

CC(C)NC(=O)C1CCCNC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.55
TSHR P16473 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
SLC6A11 P48066 1/20 0.55
LMNA P02545 1/20 0.55
SLC6A13 Q9NSD5 1/20 0.55
CHRNB2 P17787 1/20 0.54
CHRNB4 P30926 1/20 0.54
CHRNA3 P32297 1/20 0.54
CHRNA7 P36544 1/20 0.54
CHRNA4 P43681 1/20 0.54
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPT P10636 1/20 0.53
ATM Q13315 1/20 0.53
CYP2D6 P10635 1/20 0.53
NOS2 P35228 1/20 0.44
MEN1 O00255 1/20 0.44
ALOX15 P16050 1/20 0.43
CTSC P53634 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15016646 1.00 SLC6A1 (0.55) SLC6A1TSHRSMN1; SMN2SLC6A11LMNA
SCHEMBL16036865 0.91 CHRNB2 (0.56) SLC6A1TSHRSMN1; SMN2SLC6A11LMNA
SCHEMBL12696525 0.91 CHRNB2 (0.56) SLC6A1TSHRSMN1; SMN2SLC6A11LMNA
Hydrochloric Acid SCHEMBL2146404 0.89 CHRNB2 (0.54) SLC6A1TSHRSMN1; SMN2SLC6A11LMNA
Hydrochloric Acid SCHEMBL2146410 0.89 CHRNB2 (0.54) SLC6A1TSHRSMN1; SMN2SLC6A11LMNA
SCHEMBL29542788 0.86 SLC6A1 (0.49) SLC6A1TSHRSMN1; SMN2SLC6A11LMNA
SCHEMBL29541720 0.85 SLC6A1 (0.47) SLC6A1TSHRSMN1; SMN2SLC6A11LMNA
SCHEMBL29542334 0.85 SMN1; SMN2 (0.47) SLC6A1TSHRSMN1; SMN2SLC6A11LMNA
SCHEMBL25773264 0.83 SLC6A1 (0.49) SLC6A1TSHRSMN1; SMN2SLC6A11LMNA
SCHEMBL19531885 0.82 CHRNB2 (0.69) TSHRSMN1; SMN2CHRNB2CHRNB4CHRNA3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2688890-B1 SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LTD (IN) 2017-08-30 EP claimed
US-9115133-B2 Substituted fused tricyclic compounds, compositions and medicinal applications thereof ADVINUS THERAPEUTICS LIMITED (US) 2015-08-25 US claimed
US-20140023614-A1 SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LTD. 2014-01-23 US claimed
US-20230322715-A1 BROAD SPECTRUM ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-10-12 US disclosed
CN-108349969-B Substituted pyrazolo [1,5-a ] pyridine compounds as RET kinase inhibitors 阵列生物制药公司 2022-05-10 CN disclosed
US-11306078-B2 Piperidine CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2022-04-19 US disclosed
US-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-09-30 US disclosed
WO-2021076617-A1 BROAD SPECTRUM ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-04-22 WO disclosed
US-20200216423-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-07-09 US disclosed
WO-2020025517-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-02-06 WO disclosed
EP-2688890-B1 SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LTD (IN) 2017-08-30 EP disclosed
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-03-28 US disclosed
WO-2012127506-A1 SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LIMITED (IN) 2012-09-27 WO disclosed
US-20110245272-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2011-10-06 US disclosed
US-20110245272-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2011-10-06 US disclosed
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2010-08-26 US disclosed
US-20100152163-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2010-06-17 US disclosed
US-20100022580-A1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION TECHNOLOGIES, INC. 2010-01-28 US disclosed
US-20100022580-A1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION TECHNOLOGIES, INC. 2010-01-28 US disclosed
WO-2009094668-A1 NEW 2,3,4,5-TERAHYDRO-1H-PYRIDO[ 4,3-B] INDOLE COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2009-07-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110245272-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C SLC6A1 284/4885TSHR 839/4885SMN1; SMN2 2610/4885
US-20140023614-A1 SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF MALT1, JAK1, ICOS SLC6A1 2525/4885TSHR 122/4885SMN1; SMN2 1512/4885
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C SLC6A1 277/4885TSHR 847/4885SMN1; SMN2 2604/4885
US-20100022580-A1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF HTR2C, HTR3B, HTR4 SLC6A1 256/4885TSHR 819/4885SMN1; SMN2 2787/4885
US-11306078-B2 Piperidine CXCR7 receptor modulators CXCR1, CXCR5, ACKR3 SLC6A1 2342/4885TSHR 246/4885SMN1; SMN2 4303/4885
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A SLC6A1 319/4885TSHR 1922/4885SMN1; SMN2 945/4885
US-20200216423-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS JAK3, JAK1, JAK2 SLC6A1 2395/4885TSHR 2126/4885SMN1; SMN2 4740/4885
US-20100152163-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 SLC6A1 405/4885TSHR 480/4885SMN1; SMN2 4536/4885
US-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 SLC6A1 4553/4885TSHR 705/4885SMN1; SMN2 2516/4885
US-20230322715-A1 BROAD SPECTRUM ANTI-CANCER COMPOUNDS YTHDF1, YTHDF3, YTHDF2 SLC6A1 4766/4885TSHR 2302/4885SMN1; SMN2 3408/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.