SCHEMBL4150425

SCHEMBL4150425

O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCn2cccc2[C@@H]1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
LMNA P02545 4/20 0.47
MAPT P10636 4/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
IDO1 P14902 2/20 0.45
CNR1 P21554 2/20 0.42
RHOA P61586 2/20 0.42
GAA P10253 1/20 0.42
FAAH O00519 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MGLL Q99685 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL4155705 1.00 RAB9A (0.51) RAB9APOLBHTTLMNAMAPT
SCHEMBL13904891 1.00 RAB9A (0.51) RAB9APOLBHTTLMNAMAPT
SCHEMBL4155703 1.00 RAB9A (0.51) RAB9APOLBHTTLMNAMAPT
SCHEMBL3952156 0.93 RAB9A (0.47) RAB9APOLBHTTLMNAMAPT
SCHEMBL13914797 0.90 DEGS1 (0.51) RAB9APOLBHTTLMNAMAPT
SCHEMBL13914799 0.90 DEGS1 (0.51) RAB9APOLBHTTLMNAMAPT
SCHEMBL3955059 0.88 RAB9A (0.43) RAB9APOLBHTTNPC1SMN1; SMN2
SCHEMBL4150628 0.87 BRD4 (0.48) RAB9APOLBHTTLMNAMAPT
SCHEMBL13905001 0.87 BRD4 (0.48) RAB9APOLBHTTLMNAMAPT
SCHEMBL13904944 0.87 BRD4 (0.48) RAB9APOLBHTTLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062253-A1 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-05 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-20090062253-A1 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE CNR2, CNR1, GPR18 RAB9A 719/4885POLB 3792/4885HTT 3022/4885

“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.