SCHEMBL3837812

SCHEMBL3837812

CN1CCCC(C(=O)Nn2ccc3cc(Cl)ccc32)C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.44
CCR4 P51679 4/20 0.42
TP53 P04637 1/20 0.41
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
CSF1R P07333 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
POLB P06746 1/20 0.39

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 SCHEMBL4496505 0.99 GHSR (0.43) GHSRCCR4TP53LMNAALDH1A1
SCHEMBL3844405 0.86 KDM2B (0.55) ALDH1A1
SCHEMBL3844134 0.85 ALDH1A1 (0.51) TP53ALDH1A1
SCHEMBL3838208 0.84 MTNR1A (0.46) GHSRTP53LMNAALDH1A1POLB
Hydrochloric Acid SCHEMBL4511358 0.83 MTNR1A (0.46) GHSRTP53LMNAALDH1A1POLB
SCHEMBL3844186 0.81 KRAS (0.40) ALDH1A1
SCHEMBL3840124 0.81 KDM4E (0.52) TP53ALDH1A1POLB
SCHEMBL3841673 0.79 KDM4E (0.40) TP53ALDH1A1POLB
SCHEMBL3844393 0.79 ROCK2 (0.44) CCR4
SCHEMBL4920134 0.76 FNTA (0.38) GHSRCCR4RAB9AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101578100-A Use of neuroprotective compounds for obtaining drugs for treating neurodegenerative diseases SERVIER LAB (FR) 2009-11-11 CN disclosed
EP-1931341-B1 1H-INDOLE-PYRIDINECARBOXAMIDE AND 1H-INDOLE-PIPERIDINECARBOXAMIDE DERIVATIVES AND THEIR USE AS TYROSINE HYDROXYLASE INDUCERS SERVIER LAB (FR) 2009-11-04 EP disclosed
US-20090258883-A1 1H-Indole-Pyridinecarboxamide and 1H-Indole-Piperidinecarboxamide Compounds LES LABORATOIRES SERVIER (FR) 2009-10-15 US disclosed
EP-2101768-A2 USE OF NEUROPROTECTIVE COMPOUNDS FOR OBTAINING DRUGS FOR TREATING NEURODEGENERATIVE DISEASES Les Laboratoires Servier (FR) 2009-09-23 EP disclosed
WO-2008099083-A2 USE OF NEUROPROTECTIVE COMPOUNDS FOR OBTAINING DRUGS FOR TREATING NEURODEGENERATIVE DISEASES LES LABORATOIRES SERVIER (FR) 2008-08-21 WO 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-20090258883-A1 1H-Indole-Pyridinecarboxamide and 1H-Indole-Piperidinecarboxamide Compounds IDO1, AHR, IDO2 GHSR 297/4885CCR4 690/4885TP53 2439/4885

“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.