SCHEMBL7737459

SCHEMBL7737459

CCCc1cc(C)cc(N)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
TSHR P16473 1/20 0.55
NOS2 P35228 3/20 0.44
NOS3 P29474 2/20 0.44
NOS1 P29475 1/20 0.44
FFAR4 Q5NUL3 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SKP2 Q13309 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CNR1 P21554 2/20 0.33
MAPT P10636 1/20 0.33
GFER P55789 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CNR2 P34972 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL597287 0.88 FFAR4 (0.44) ALDH1A1TSHRNOS2NOS3NOS1
SCHEMBL10492672 0.85 CNR1 (0.38) ALDH1A1TSHRNOS2NOS3NOS1
SCHEMBL4575378 0.85 CNR1 (0.38) ALDH1A1TSHRNOS2NOS3NOS1
SCHEMBL10775544 0.84 PTGS2 (0.50) ALDH1A1TSHRKDM4ESKP2NPC1
SCHEMBL16962402 0.83 FFAR4 (0.44) ALDH1A1NOS2NOS3NOS1FFAR4
SCHEMBL23562 0.81 ALDH1A1 (0.60) ALDH1A1TSHRNOS2NOS3NOS1
SCHEMBL27667787 0.80 ALDH1A1 (0.52) ALDH1A1TSHRKDM4ECNR1MAPT
SCHEMBL5568680 0.79 FFAR4 (0.40) ALDH1A1TSHRNOS2NOS3NOS1
SCHEMBL14088678 0.78 ALDH1A1 (0.63) ALDH1A1TSHRNOS2NOS3NOS1
SCHEMBL26431093 0.78 ALDH1A1 (0.44) ALDH1A1TSHRNOS2NOS3NOS1

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
WO-2021156170-A1 ANTIBODIES AGAINST KLK5 UCB Biopharma SRL (BE) 2021-08-12 WO disclosed
US-9328071-B2 Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2016-05-03 US disclosed
US-8932842-B2 Aminopyridine dimer compounds, compositions and related methods for neuronal nitric oxide synthase inhibition NORTHWESTERN UNIVERSITY (US) 2015-01-13 US disclosed
US-8932842-B2 Aminopyridine dimer compounds, compositions and related methods for neuronal nitric oxide synthase inhibition NORTHWESTERN UNIVERSITY (US) 2015-01-13 US disclosed
US-20140309264-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-10-16 US disclosed
US-20130040359-A1 Aminopyridine dimer compounds, compositions and related methods for neuronal nitric oxide synthase inhibition NORTHWESTERN UNIVERSITY (US) 2013-02-14 US disclosed
US-8278084-B2 Aminopyridine dimer compounds, compositions and related methods for neuronal nitric oxide synthase inhibition NORTHWESTERN UNIVERSITY (US) 2012-10-02 US disclosed
EP-2292592-B1 SULFONAMIDE COMPOUND AND APPLICATION THEREOF ASAHI KASEI PHARMA CORP (JP) 2012-09-05 EP disclosed
US-20100203613-A1 Aminopyridine Dimer Compounds, Compositions and Related Methods for Neuronal Nitric Oxide Synthase Inhibition NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-08-12 US disclosed
EP-0051805-B1 PROCESS FOR THE PREPARATION OF AROMATIC AMINES HOECHST AKTIENGESELLSCHAFT (DE) 1984-01-18 EP disclosed
US-4375561-A Process for the preparation of aromatic amines HOECHST AKTIENGESELLSCHAFT (DE) 1983-03-01 US disclosed
EP-0051805-A1 Process for the preparation of aromatic amines HOECHST AKTIENGESELLSCHAFT (DE) 1982-05-19 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-20130040359-A1 Aminopyridine dimer compounds, compositions and related methods for neuronal nitric oxide synthase inhibition NOS2, NOS1, NOS3 ALDH1A1 1362/4885TSHR 4480/4885NOS2 1/4885
US-20100203613-A1 Aminopyridine Dimer Compounds, Compositions and Related Methods for Neuronal Nitric Oxide Synthase Inhibition NOS2, NOS1, NOS3 ALDH1A1 1362/4885TSHR 4480/4885NOS2 1/4885
US-20140309264-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG ALDH1A1 2149/4885TSHR 2416/4885NOS2 1358/4885

“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.