SCHEMBL4839872

SCHEMBL4839872

N#Cc1ccc(-c2ccc(CCN)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.59
TSHR P16473 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MAOB P27338 6/20 0.53
MMP12 P39900 1/20 0.49
MMP13 P45452 1/20 0.49
KCNJ1 P48048 1/20 0.48
KCNH2 Q12809 1/20 0.48
CYP2A6 P11509 2/20 0.48
MMP3 P08254 1/20 0.48
IDO1 P14902 2/20 0.47
TAAR1 Q96RJ0 3/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL929380 0.94 LOXL2 (0.67) LOXL2TSHRHSD17B10MAOBKCNJ1
Bromide SCHEMBL28682315 0.91 LOXL2 (0.64) LOXL2TSHRHSD17B10MAOBKCNJ1
Hydrochloric Acid SCHEMBL2588394 0.91 LOXL2 (0.64) LOXL2TSHRHSD17B10MAOBKCNJ1
SCHEMBL9553025 0.83 TSHR (0.58) LOXL2TSHRHSD17B10MAOBMMP12
SCHEMBL9553103 0.83 TSHR (0.58) LOXL2TSHRHSD17B10MAOBMMP12
SCHEMBL15245752 0.83 LOXL2 (0.86) LOXL2TSHRHSD17B10MMP12MMP13
SCHEMBL17857810 0.83 TSHR (0.72) LOXL2TSHRHSD17B10MAOBMMP12
SCHEMBL6532602 0.82 MAOB (0.73) LOXL2MAOBCYP2A6TAAR1HRH3
SCHEMBL4949211 0.81 LOXL2 (0.61) LOXL2TSHRHSD17B10MAOBKCNJ1
Hydrochloric Acid SCHEMBL20497332 0.81 LOXL2 (0.83) LOXL2TSHRHSD17B10MMP12MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4137481-A1 ARYL OR HETEROARYL DERIVATIVE Teijin Pharma Limited (JP) 2023-02-22 EP disclosed
US-7365091-B2 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of PHEX ENOBIA PHARMA (CA) 2008-04-29 US disclosed
US-20060287280-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of PHEX ENOBIA PHARMA (CA) 2006-12-21 US disclosed
US-7105539-B2 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of phex ENOBIA PHARMA (CA) 2006-09-12 US disclosed
US-20060135480-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of phex ENOBIA PHARMA (CA) 2006-06-22 US disclosed
EP-1572645-A2 DERIVATIVES OF SUCCINIC AND GLUTARIC ACIDS AND ANALOGS THEREOF USEFUL AS INHIBITORS OF PHEX Enobia Pharma Inc. (CA) 2005-09-14 EP disclosed
US-20040186301-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of phex BIOMEP INC. 2004-09-23 US disclosed
WO-2004050620-A2 DERIVATIVES OF SUCCINIC AND GLUTARIC ACIDS AND ANALOGS THEREOF USEFUL AS INHIBITORS OF PHEX ENOBIA PHARMA (CA) 2004-06-17 WO disclosed
US-5852192-A Cyclic urea derivatives, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1998-12-22 US disclosed
US-5650424-A ANTIAGGLOMERANTS USING IMIDAZOLIDINDIONES DR. KARL THOMAE GMBH (DE) 1997-07-22 US disclosed
EP-0503548-B1 Cyclic urea derivatives, medicaments contaning them and process for their preparation THOMAE GMBH DR K (DE) 1997-06-04 EP disclosed
US-5478942-A Antiinflammatory agents, antiagglomerants KARL THOMAE GMBH (DE) 1995-12-26 US disclosed
US-5276049-A Treatment of thrombosis DR. KARL THOMAE GMBH (DE) 1994-01-04 US disclosed
EP-0503548-A1 Cyclic urea derivatives, medicaments contaning them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-16 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 (3 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-20060287280-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of PHEX GLS, SUCNR1, PGD LOXL2 1114/4885TSHR 4496/4885HSD17B10 322/4885
US-20040186301-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of phex GLS, SUCNR1, PGD LOXL2 1139/4885TSHR 4547/4885HSD17B10 303/4885
US-20060135480-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of phex GLS, SUCNR1, GCDH LOXL2 1181/4885TSHR 4541/4885HSD17B10 279/4885

“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.