SCHEMBL1737520

SCHEMBL1737520

CCC1c2ccccc2CCN1c1nccc2c(C)c(C)n(CCOC)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.34
SLC6A4 P31645 1/20 0.33
OPRM1 P35372 4/20 0.32
OPRK1 P41145 4/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
NPC1 O15118 1/20 0.32
NR2F2 P24468 1/20 0.32
RAB9A P51151 1/20 0.32
CXCR4 P61073 2/20 0.32
CYP1A2 P05177 1/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 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
Hydrochloric Acid SCHEMBL1737217 0.99 NTRK1 (0.34) NTRK1SLC6A4OPRM1OPRK1MEN1
SCHEMBL1737211 0.90 MEN1 (0.32) NTRK1MEN1KMT2ACYP1A2CHRM2
SCHEMBL1737075 0.90 PPARG (0.31) NTRK1PPARGPRMT5WDR77
SCHEMBL1737645 0.90 NTRK1 (0.34) NTRK1MEN1KMT2ANPC1NR2F2
Hydrochloric Acid SCHEMBL1736448 0.90 PPARG (0.32) NTRK1MEN1KMT2ACYP1A2CHRM2
Hydrochloric Acid SCHEMBL1736606 0.89 PPARG (0.32) PPARG
Hydrochloric Acid SCHEMBL1738373 0.89 NTRK1 (0.34) NTRK1MEN1KMT2ANPC1NR2F2
SCHEMBL1737283 0.88 MEN1 (0.35) NTRK1OPRM1OPRK1MEN1KMT2A
SCHEMBL1738471 0.88 ADRA2A (0.33) CYP1A2HTR1AADRA2ACYP2D6ADRA2B
Hydrochloric Acid SCHEMBL1736961 0.87 MEN1 (0.34) NTRK1OPRM1OPRK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP claimed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US claimed
US-8188114-B2 Pyrrolo[2,3-C]pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2012-05-29 US disclosed
US-20100069430-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2010-03-18 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 (1 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-20100069430-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, ATP6V1H NTRK1 4124/4885SLC6A4 2209/4885OPRM1 3742/4885

“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.