SCHEMBL16632580

SCHEMBL16632580

Clc1ccc(Oc2cccc3[nH]ccc23)c(OCc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 6/20 0.63
SLC6A4 P31645 2/20 0.49
HTR2C P28335 4/20 0.48
HTR2B P41595 4/20 0.48
TRPA1 O75762 1/20 0.48
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
PTGER1 P34995 2/20 0.45
HTR6 P50406 1/20 0.43

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
SCHEMBL16632747 0.87 DRD4 (0.54) RHEBTRPA1DRD2DRD4DRD3
SCHEMBL746079 0.82 DRD4 (0.63) RHEBSLC6A4HTR2CDRD2DRD4
SCHEMBL29415608 0.82 DRD4 (0.63) RHEBSLC6A4HTR2CDRD2DRD4
SCHEMBL12821455 0.81 RHEB (0.59) RHEBSLC6A4DRD2DRD4DRD3
SCHEMBL12821465 0.81 RHEB (0.54) RHEBHTR2CDRD2DRD4DRD3
SCHEMBL20535781 0.78 RHEB (1.00) RHEBSLC6A4TRPA1
SCHEMBL20536492 0.78 RHEB (1.00) RHEBTRPA1
Indole SCHEMBL28308979 0.76 DRD4 (0.56) SLC6A4HTR2CTRPA1DRD2DRD4
SCHEMBL8546338 0.75 MAPK14 (0.43) RHEBSLC6A4HTR2CHTR2BDRD2
Pyridine SCHEMBL28519653 0.75 DRD4 (0.55) HTR2CDRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382245-B2 Compounds and methods for treating HIV infections YALE UNIVERSITY (US) 2016-07-05 US disclosed
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-16 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-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS POLM, POLRMT, DHFR RHEB 2503/4885SLC6A4 4266/4885HTR2C 3889/4885

“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.