SCHEMBL18100588

SCHEMBL18100588

COc1ccc(-c2ccc3c(c2)[C@@H]2C[C@H]3CCN2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ABL1 P00519 1/20 0.40
ABCB1 P08183 1/20 0.40
BCR P11274 1/20 0.40
HTR2C P28335 2/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
BRD4 O60885 2/20 0.35
BRD2 P25440 2/20 0.35
BRD3 Q15059 2/20 0.35
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL16408625 1.00 CHRNB2 (0.45) CHRNB2CHRNA4MEN1KMT2AABL1
SCHEMBL21499087 1.00 CHRNB2 (0.45) CHRNB2CHRNA4MEN1KMT2AABL1
SCHEMBL21499090 1.00 CHRNB2 (0.45) CHRNB2CHRNA4MEN1KMT2AABL1
SCHEMBL18099244 0.84 SIGMAR1 (0.41) CHRNB2CHRNA4HTR2C
SCHEMBL18099358 0.84 SIGMAR1 (0.41) CHRNB2CHRNA4HTR2C
SCHEMBL1207004 0.82 MEN1 (0.52) CHRNB2CHRNA4MEN1KMT2AHTR2C
SCHEMBL16408611 0.82 GABRA1 (0.40) MEN1KMT2ANPC1
SCHEMBL16408515 0.82 GABRA1 (0.40) MEN1KMT2ANPC1
SCHEMBL18099212 0.82 GABRA1 (0.40) MEN1KMT2ANPC1
SCHEMBL18099245 0.81 CHRNB2 (0.38) CHRNB2CHRNA4HTR2CKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200115345-A1 COMPOUNDS AND METHODS FOR TREATING CANCER, NEUROLOGICAL DISORDERS, ETHANOL WITHDRAWAL, ANXIETY, DEPRESSION, AND NEUROPATHIC PAIN UNIV TEXAS (US) 2020-04-16 US disclosed
US-10450275-B2 Compounds and methods for treating cancer, neurological disorders, ethanol withdrawal, anxiety, depression, and neuropathic pain BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-10-22 US disclosed
US-20160280657-A1 COMPOUNDS AND METHODS FOR TREATING CANCER, NEUROLOGICAL DISORDERS, ETHANOL WITHDRAWAL, ANXIETY, DEPRESSION, AND NEUROPATHIC PAIN BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2016-09-29 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 (3 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-20200115345-A1 COMPOUNDS AND METHODS FOR TREATING CANCER, NEUROLOGICAL DISORDERS, ETHANOL WITHDRAWAL, ANXIETY, DEPRESSION, AND NEUROPATHIC PAIN ELAVL1, ADH1A, NGF CHRNB2 78/4885CHRNA4 45/4885MEN1 1759/4885
US-20160280657-A1 COMPOUNDS AND METHODS FOR TREATING CANCER, NEUROLOGICAL DISORDERS, ETHANOL WITHDRAWAL, ANXIETY, DEPRESSION, AND NEUROPATHIC PAIN ELAVL1, ADH1A, NGF CHRNB2 78/4885CHRNA4 45/4885MEN1 1759/4885
US-10450275-B2 Compounds and methods for treating cancer, neurological disorders, ethanol withdrawal, anxiety, depression, and neuropathic pain ELAVL1, ADH1A, NGF CHRNB2 78/4885CHRNA4 45/4885MEN1 1759/4885

“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.