SCHEMBL20179618

SCHEMBL20179618

COc1cc(Cc2cncc(C)c2)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.47
TUBB P07437 2/20 0.47
TUBA3C P0DPH7 2/20 0.47
TUBA1B P68363 2/20 0.47
TUBA4A P68366 2/20 0.47
TUBB4B P68371 2/20 0.47
TUBB3 Q13509 2/20 0.47
TUBB2A Q13885 2/20 0.47
TUBB8 Q3ZCM7 2/20 0.47
TUBA3E Q6PEY2 2/20 0.47
TUBA1A Q71U36 2/20 0.47
TUBA1C Q9BQE3 2/20 0.47
TUBB6 Q9BUF5 2/20 0.47
TUBB2B Q9BVA1 2/20 0.47
TUBB1 Q9H4B7 2/20 0.47
PTGS2 P35354 1/20 0.47
ACHE P22303 1/20 0.47
CYP3A4 P08684 2/20 0.46
DHFR P00374 2/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL4238248 0.81 PTGS2 (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8910416 0.80 PTGS2 (0.70) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL26466869 0.78 CYP11B1 (0.51) CYP3A4CYP11B1CYP11B2
SCHEMBL13813583 0.74 ACHE (0.52) ACHEALDH1A1TSHRHSD17B10GAA
SCHEMBL13559004 0.72 CYP11B1 (0.45) CYP3A4CYP11B1CYP11B2
SCHEMBL10978459 0.71 DHFR (0.66) CYP3A4DHFRMEN1SLC22A1ALDH1A1
SCHEMBL21251416 0.71 CYP11B1 (0.57) CYP3A4CYP11B1CYP11B2
SCHEMBL11603957 0.70 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27456264 0.69 TUBB4A (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22474091 0.69 CYP11B1 (0.64) CYP3A4CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11059778-B2 Cannabinoid receptor CB2 ligand 4-(aminomethyl)-N, N-dialkylanilines UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-07-13 US disclosed
US-20200270205-A1 NOVEL CANNABINOID RECEPTOR CB2 LIGAND 4-(AMINOMETHYL)-N, N-DIALKYLANILINES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-08-27 US disclosed
US-10696624-B2 Cannabinoid receptor CB2 ligand 4-(aminomethyl)-N,N-dialkylanilines University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2020-06-30 US disclosed
US-20180141902-A1 NOVEL CANNABINOID RECEPTOR CB2 LIGAND 4-(AMINOMETHYL)-N,N-DIALKYLANILINES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-05-24 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 (4 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-11059778-B2 Cannabinoid receptor CB2 ligand 4-(aminomethyl)-N, N-dialkylanilines CNR2, CNR1, GPR174 TUBB4A 3593/4885TUBB 3578/4885TUBA3C 4127/4885
US-20200270205-A1 NOVEL CANNABINOID RECEPTOR CB2 LIGAND 4-(AMINOMETHYL)-N, N-DIALKYLANILINES CNR2, CNR1, GPR174 TUBB4A 3545/4885TUBB 3554/4885TUBA3C 4067/4885
US-20180141902-A1 NOVEL CANNABINOID RECEPTOR CB2 LIGAND 4-(AMINOMETHYL)-N,N-DIALKYLANILINES CNR2, CNR1, GPR174 TUBB4A 3559/4885TUBB 3594/4885TUBA3C 4225/4885
US-10696624-B2 Cannabinoid receptor CB2 ligand 4-(aminomethyl)-N,N-dialkylanilines CNR2, CNR1, GPR174 TUBB4A 3593/4885TUBB 3578/4885TUBA3C 4127/4885

“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.