SCHEMBL9044696

SCHEMBL9044696

CC(=O)NCC1CCNC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.51
SLC6A1 P30531 2/20 0.50
GABRA5 P31644 2/20 0.50
GABRB2 P47870 2/20 0.50
SLC6A12 P48065 2/20 0.50
SLC6A11 P48066 2/20 0.50
SLC6A13 Q9NSD5 2/20 0.50
GABRA1 P14867 1/20 0.50
GABRR1 P24046 1/20 0.50
GABRA4 P48169 1/20 0.50
TSHR P16473 1/20 0.45
SMYD3 Q9H7B4 2/20 0.43
FUCA1 P04066 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
EPHX1 P07099 1/20 0.41
EPHX2 P34913 1/20 0.41
NAMPT P43490 3/20 0.40
KDM1A O60341 2/20 0.38
CACNA1H O95180 1/20 0.38

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
SCHEMBL617850 1.00 ALOX15 (0.51) ALOX15SLC6A1GABRA5GABRB2SLC6A12
SCHEMBL617644 1.00 ALOX15 (0.51) ALOX15SLC6A1GABRA5GABRB2SLC6A12
Hydrochloric Acid SCHEMBL715763 0.98 ALOX15 (0.50) ALOX15SLC6A1GABRA5GABRB2SLC6A12
Hydrochloric Acid SCHEMBL715762 0.98 ALOX15 (0.50) ALOX15SLC6A1GABRA5GABRB2SLC6A12
SCHEMBL3952147 0.89 PBK (0.45) ALOX15SLC6A1SLC6A11SLC6A13TSHR
SCHEMBL13186049 0.89 PBK (0.45) ALOX15SLC6A1SLC6A11SLC6A13TSHR
SCHEMBL13212506 0.89 PBK (0.45) ALOX15SLC6A1SLC6A11SLC6A13TSHR
SCHEMBL3417010 0.88 ALOX15 (0.64) ALOX15TSHRSMYD3FUCA1MTNR1A
Hydrochloric Acid SCHEMBL28551740 0.86 ALOX15 (0.62) ALOX15TSHRSMYD3FUCA1MTNR1A
SCHEMBL7391975 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030878-B2 Substituted indole ether compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-09 US claimed
US-20170298084-A1 AMIDE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-10-19 US disclosed
US-9695205-B2 Amide compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
US-20160362398-A1 AMIDE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
US-20150239893-A1 Amide Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-08-16 US disclosed
WO-2010149684-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-29 WO disclosed
EP-0526342-B1 Isoquinolin-5yl-sulphonamides, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1996-12-04 EP disclosed
EP-0526342-A1 Isoquinolin-5yl-sulphonamides, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1993-02-03 EP disclosed
US-4864023-A MICROBIOCIDES, BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 1989-09-05 US disclosed
US-4801584-A ANTIMICROBIAL HOFFMANN-LA ROCHE INC. (US) 1989-01-31 US disclosed
EP-0259804-A2 Pyrido[3,2,1-ij]-1,3,4-benzoxadiazine derivatives, process for their preparation, resulting pharmaceutical preparations and intermediates for use in the process F. HOFFMANN-LA ROCHE AG (CH) 1988-03-16 EP 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-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 ALOX15 98/4885SLC6A1 3748/4885GABRA5 927/4885
US-20160362398-A1 AMIDE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, TFPI, CFH ALOX15 523/4885SLC6A1 3955/4885GABRA5 4669/4885
US-20170298084-A1 AMIDE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, TFPI, C9 ALOX15 242/4885SLC6A1 4266/4885GABRA5 4530/4885
US-20150239893-A1 Amide Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C9 ALOX15 242/4885SLC6A1 4266/4885GABRA5 4530/4885
US-12030878-B2 Substituted indole ether compounds TLR7, TLR8, TLR1 ALOX15 654/4885SLC6A1 3903/4885GABRA5 2054/4885

“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.