SCHEMBL20163323

SCHEMBL20163323

CCCCC/N=C\c1ccc(N(CC)CC)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.57
KDM4E B2RXH2 10/20 0.57
GAA P10253 8/20 0.57
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
ALDH3A1 P30838 1/20 0.50
ALDH1A3 P47895 1/20 0.50
MAPT P10636 12/20 0.48
HPGD P15428 4/20 0.47
GFER P55789 2/20 0.47
GLA P06280 1/20 0.47
RAB9A P51151 6/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CASP1 P29466 3/20 0.43
CASP7 P55210 1/20 0.43
HBB P68871 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
ESRRG P62508 2/20 0.43
POLB P06746 2/20 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
SCHEMBL18321013 1.00 ALDH1A1 (0.57) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL15086509 0.98 ALDH1A1 (0.56) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL15172911 0.93 ALDH1A1 (0.61) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL15172948 0.93 ALDH1A1 (0.61) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL15172947 0.93 ALDH1A1 (0.61) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL15172910 0.93 ALDH1A1 (0.61) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL4899121 0.88 ALDH1A1 (0.67) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL4899125 0.88 ALDH1A1 (0.67) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL9810590 0.84 ALDH1A1 (0.57) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL9810599 0.84 ALDH1A1 (0.57) ALDH1A1KDM4EKMT2AMEN1MAPT

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 ALDH1A1 4399/4885KDM4E 1011/4885GAA 4834/4885
US-20200270205-A1 NOVEL CANNABINOID RECEPTOR CB2 LIGAND 4-(AMINOMETHYL)-N, N-DIALKYLANILINES CNR2, CNR1, GPR174 ALDH1A1 4373/4885KDM4E 1040/4885GAA 4846/4885
US-20180141902-A1 NOVEL CANNABINOID RECEPTOR CB2 LIGAND 4-(AMINOMETHYL)-N,N-DIALKYLANILINES CNR2, CNR1, GPR174 ALDH1A1 4390/4885KDM4E 840/4885GAA 4837/4885
US-10696624-B2 Cannabinoid receptor CB2 ligand 4-(aminomethyl)-N,N-dialkylanilines CNR2, CNR1, GPR174 ALDH1A1 4399/4885KDM4E 1011/4885GAA 4834/4885

“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.