SCHEMBL7220965

SCHEMBL7220965

CSCCN1CCC(N)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.50
GNAO1 P09471 1/20 0.50
GNAI1 P63096 1/20 0.50
SPHK1 Q9NYA1 1/20 0.40
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
PRMT1 Q99873 1/20 0.32
PRMT8 Q9NR22 1/20 0.32
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
GRIN2B Q13224 1/20 0.30

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
SCHEMBL7221767 1.00 GNAI3 (0.50) GNAI3GNAO1GNAI1SPHK1HRH2
Hydrochloric Acid SCHEMBL4111680 0.98 GNAI3 (0.53) GNAI3GNAO1GNAI1SPHK1HRH2
SCHEMBL469155 0.80 CARM1 (0.52) HRH3CARM1PRMT6PRMT1PRMT8
SCHEMBL4621392 0.79 GNAI3 (0.52) GNAI3GNAO1GNAI1SPHK1HRH2
SCHEMBL24785061 0.78 KCNA3 (0.41) SPHK1HRH2HRH1HRH3CARM1
SCHEMBL31194972 0.78 ALOX15 (0.38) CARM1PRMT6PRMT8ALDH1A1TSHR
Hydrochloric Acid SCHEMBL4880875 0.78 GNAI3 (0.55) GNAI3GNAO1GNAI1SPHK1HRH2
SCHEMBL439763 0.75 GNAI3 (0.32) GNAI3GNAO1GNAI1CARM1PRMT6
SCHEMBL18874930 0.75 CYP2D6 (0.38) HRH3CARM1PRMT6PRMT1PRMT8
SCHEMBL7220679 0.75 GNAI3 (0.67) GNAI3GNAO1GNAI1SPHK1

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-20200062760-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2020-02-27 US disclosed
US-6642231-B2 Antineoplastic agents, treatment for neuronal injury and degeneration AVENTIS PHARMACEUTICALS INC. 2003-11-04 US disclosed
US-20030105098-A1 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines AVENTISUB II INC. 2003-06-05 US disclosed
US-6479487-B1 INHIBIT CYCLIN DEPENDENT KINASES, PARTICULARLY CDK-2; ANTIAPOPTOSIS AGENT; INHIBITS DEVELOPMENT OF NEOPLASMS AVENTIS PHARMACEUTICALS INC. 2002-11-12 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 (2 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-20030105098-A1 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines CDK6, CDK5, CDK2 GNAI3 2099/4885GNAO1 2886/4885GNAI1 2256/4885
US-20200062760-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPRJ, PTPRC GNAI3 442/4885GNAO1 1494/4885GNAI1 344/4885

“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.