SCHEMBL9939128

SCHEMBL9939128

Clc1ccc2c(OCCN3CCCCC3)ccc(Cl)c2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.48
LTA4H P09960 1/20 0.45
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
HTR2A P28223 3/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HRH3 Q9Y5N1 4/20 0.42
HTR7 P34969 2/20 0.42
HTR6 P50406 2/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL9939180 0.88 TSHR (0.56) TSHRKDM4EHTR2CHTR2BSIGMAR1
SCHEMBL9939330 0.81 SMN1; SMN2 (0.57) TSHRSMN1; SMN2LTA4HKDM4EHTR2A
SCHEMBL9942806 0.76 HRH3 (0.45) TSHRHTR2AHTR2CHTR2BHRH3
SCHEMBL9937979 0.75 NTRK1 (0.42) TSHRSMN1; SMN2LTA4HKDM4EHTR2A
SCHEMBL9943627 0.75 NTRK1 (0.47) TSHRLTA4HHTR2AHTR2CHTR2B
SCHEMBL19107133 0.74 KDM4E (0.52) TSHRLTA4HKDM4EPOLBHRH3
SCHEMBL22137743 0.74 NTRK1 (0.51) TSHRLTA4HKDM4EPOLBHTR2A
SCHEMBL20124482 0.74 NTRK1 (0.46) TSHRLTA4HHTR2AHTR2C
SCHEMBL9943843 0.72 TSHR (0.51) TSHRSMN1; SMN2LTA4HKDM4EPOLB
SCHEMBL9827306 0.72 SMN1; SMN2 (0.55) TSHRSMN1; SMN2LTA4HKDM4EHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651416-B1 COMPOUNDS USEFUL FOR TREATING AIDS ABIVAX (FR) 2018-05-09 EP disclosed
US-9061999-B2 Compounds useful for treating AIDS ABIVAX (FR) 2015-06-23 US disclosed
EP-2651416-A1 COMPOUNDS USEFUL FOR TREATING AIDS Splicos (FR) 2013-10-23 EP disclosed
US-20130267703-A1 COMPOUNDS USEFUL FOR TREATING AIDS SPLICOS (FR) 2013-10-10 US disclosed
WO-2012080953-A1 COMPOUNDS USEFUL FOR TREATING AIDS SPLICOS (FR) 2012-06-21 WO disclosed
EP-2465502-A1 Compounds useful for treating AIDS Société Splicos (FR) 2012-06-20 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 (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-20130267703-A1 COMPOUNDS USEFUL FOR TREATING AIDS CBR3, CBR1, CCR10 TSHR 2295/4885SMN1; SMN2 3057/4885LTA4H 2203/4885

“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.