SCHEMBL905786

SCHEMBL905786

COc1cc2c(cc1F)c1c(n2C[C@H](C)N)CCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.38
HTR2C P28335 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HSD17B10 Q99714 2/20 0.34
BACE1 P56817 3/20 0.34
BCHE P06276 2/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
SCARB1 Q8WTV0 1/20 0.33
GAA P10253 1/20 0.32
NTSR1 P30989 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7529719 1.00 HTR6 (0.38) HTR6HTR2CMEN1KMT2AHSD17B10
SCHEMBL6628060 1.00 HTR6 (0.38) HTR6HTR2CMEN1KMT2AHSD17B10
SCHEMBL10199815 0.84 HTR6 (0.40) HTR6HTR2CHSD17B10SCARB1
Ammonia Solution, Strong SCHEMBL905788 0.81 RAB9A (0.40) HTR6MEN1KMT2AHSD17B10LMNA
SCHEMBL905851 0.78 KDM4E (0.52) HTR6HTR2CHSD17B10BACE1BCHE
SCHEMBL6628064 0.78 HSD17B10 (0.36) MEN1KMT2AHSD17B10LMNAKDM4E
SCHEMBL6628067 0.78 HSD17B10 (0.36) MEN1KMT2AHSD17B10LMNAKDM4E
SCHEMBL906131 0.78 BCHE (0.53) HTR6HTR2CMEN1KMT2AHSD17B10
SCHEMBL6628062 0.76 HTR6 (0.32) HTR6HSD17B10
SCHEMBL905787 0.76 HTR6 (0.32) HTR6HSD17B10

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202965-B1 INDOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR MEDICINAL APPLICATION VERNALIS RES LTD (GB) 2004-10-13 EP claimed
EP-0618190-B1 9-[(Substituted glycyl)amido]-6-(substituted)-5-hydroxy-6-deoxytetracyclines WYETH CORP (US) 2004-05-19 EP claimed
US-6706750-B1 USEFUL IN TREATING OBESITY AND OTHER DISORDERS VERNALIS RESEARCH LIMITED (GB) 2004-03-16 US claimed
US-20110152272-A1 Treatment Of Incontinence PFIZER INC 2011-06-23 US disclosed
EP-2277513-A2 Treatment of incontinence with 5htc2 agonists Pfizer Inc. (US) 2011-01-26 EP disclosed
US-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-21 US disclosed
US-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-21 US disclosed
US-20080146583-A1 Treatment of Incontinence PFIZER INC 2008-06-19 US disclosed
US-7081472-B2 Substituted bis-indole derivatives useful as contrast agents, pharmaceutical compositions containing them and intermediates for producing them K. U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2006-07-25 US disclosed
EP-1620081-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS Pfizer Limited (GB) 2006-02-01 EP disclosed
US-20040235856-A1 Treatment of incontinence PFIZER INC 2004-11-25 US disclosed
WO-2004096196-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS PFIZER LIMITED (GB) 2004-11-11 WO disclosed
EP-1202965-B1 INDOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR MEDICINAL APPLICATION VERNALIS RES LTD (GB) 2004-10-13 EP disclosed
US-20040053911-A1 Substituted bis-indole derivatives useful as contrast agents, pharmaceutical compositions containing them and intermediates for producing them K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2004-03-18 US disclosed
US-6706750-B1 USEFUL IN TREATING OBESITY AND OTHER DISORDERS VERNALIS RESEARCH LIMITED (GB) 2004-03-16 US disclosed
EP-1343758-A1 SUBSTITUTED BIS-INDOLE DERIVATIVES USEFUL AS CONTRAST AGENTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES FOR PRODUCING THEM K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2003-09-17 EP disclosed
WO-2002038546-A1 SUBSTITUTED BIS-INDOLE DERIVATIVES USEFUL AS CONTRAST AGENTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES FOR PRODUCING THEM K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2002-05-16 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 (5 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-20040235856-A1 Treatment of incontinence HTR2C, HTR5A, ADRA2C HTR6 21/4885HTR2C 1/4885MEN1 4045/4885
US-20040053911-A1 Substituted bis-indole derivatives useful as contrast agents, pharmaceutical compositions containing them and intermediates for producing them IDO1, IDO2, CNR1 HTR6 29/4885HTR2C 23/4885MEN1 41/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C HTR6 21/4885HTR2C 1/4885MEN1 4045/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C HTR6 21/4885HTR2C 1/4885MEN1 4045/4885
US-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF HTR2C, HTR5A, HTR3C HTR6 42/4885HTR2C 1/4885MEN1 4418/4885

“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.