SCHEMBL9774

SCHEMBL9774

NC(=O)CCCc1ccccn1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.68
CYP1A2 P05177 2/20 0.68
CYP2C19 P33261 1/20 0.68
HRH1 P35367 2/20 0.58
PARP10 Q53GL7 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
PTPRA P18433 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46

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
Hydrochloric Acid SCHEMBL3513717 0.98 SMN1; SMN2 (0.66) SMN1; SMN2CYP1A2CYP2C19HRH1PARP10
SCHEMBL7376400 0.95 SMN1; SMN2 (0.61) SMN1; SMN2CYP1A2CYP2C19HRH1PARP10
SCHEMBL7378329 0.93 HRH1 (0.64) SMN1; SMN2CYP1A2CYP2C19HRH1PARP10
SCHEMBL18248625 0.93 HRH1 (0.64) SMN1; SMN2CYP1A2CYP2C19HRH1PARP10
SCHEMBL626826 0.91 HRH1 (0.57) SMN1; SMN2CYP1A2CYP2C19HRH1PARP10
SCHEMBL6196923 0.85 SMN1; SMN2 (0.68) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
SCHEMBL6687222 0.85 SMN1; SMN2 (0.73) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
SCHEMBL3673389 0.85 SMN1; SMN2 (0.73) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
SCHEMBL18248489 0.85 HRH1 (0.54) SMN1; SMN2CYP1A2CYP2C19HRH1
SCHEMBL18248642 0.85 HRH1 (0.54) SMN1; SMN2CYP1A2CYP2C19HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1780821-A Heterocyclic kinase inhibitors. ABBOTT LAB (US) 2006-05-31 CN claimed
JP-4059760-A None JP disclosed
US-20180305373-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO Prism BioLab Co., Ltd. (JP) 2018-10-25 US disclosed
US-10017522-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2018-07-10 US disclosed
US-9884814-B2 Acylguanidines for treating osteoarthritis MERCK PATENT GMBH (DE) 2018-02-06 US disclosed
US-20150368262-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO Prism BioLab Co., Ltd. (JP) 2015-12-24 US disclosed
US-20150361037-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-12-17 US disclosed
US-9040531-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2015-05-26 US disclosed
EP-2504315-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2012-10-03 EP disclosed
US-8163761-B2 Methods and compositions for treating disorders HYDRA BIOSCIENCES, INC. (US) 2012-04-24 US disclosed
US-4160095-A PROSTAGLANDINS; ANTIINFLAMMATORY AGENTS THE UPJOHN COMPANY (US) 1979-07-03 US disclosed
US-4157441-A PROSTAGLANDINS, ANTIINFLAMMATORY AGENTS THE UPJOHN COMPANY (US) 1979-06-05 US disclosed
US-4151351-A PROSTAGLANDINS, ANTIINFLAMMATORY THE UPJOHN COMPANY (US) 1979-04-24 US disclosed
US-4131738-A 6-Hydroxy-PGE1 compounds THE UPJOHN COMPANY (US) 1978-12-26 US disclosed
US-4128713-A 6,7-Didehydro-PGI1 compounds THE UPJOHN COMPANY (US) 1978-12-05 US disclosed
US-4126744-A PROSTACYCLIN, MUSCLE STIMULANTS, PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-11-21 US disclosed
US-4112224-A PROSTAGLANDIN THE UPJOHN COMPANY (US) 1978-09-05 US disclosed
US-4109082-A PROSTACYCLIN ANALOGS; SMOOTH MUSCLE STIMULATORS THE UPJOHN COMPANY (US) 1978-08-22 US disclosed
US-4100192-A Inter-phenylene-PG amides THE UPJOHN COMPANY (US) 1978-07-11 US disclosed
US-4097489-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-06-27 US 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 (4 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-20150368262-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO SMN1; SMN2 1774/4885CYP1A2 3371/4885CYP2C19 4824/4885
US-20150361037-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS CTSG, CTSD, CTSB SMN1; SMN2 3634/4885CYP1A2 2055/4885CYP2C19 1795/4885
US-20180305373-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO SMN1; SMN2 1774/4885CYP1A2 3371/4885CYP2C19 4824/4885
US-10017522-B2 Alpha helix mimetics and methods relating thereto PLOD3, COL1A1, THPO SMN1; SMN2 1774/4885CYP1A2 3371/4885CYP2C19 4824/4885

“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.