SCHEMBL9865392

SCHEMBL9865392

Cc1cccc(C)c1CCCN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.48
HTR2A P28223 1/20 0.40
HTR1D P28221 1/20 0.40
HTR7 P34969 1/20 0.40
MAOA P21397 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP2A6 P11509 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 2/20 0.38
KAT2B Q92831 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CD44 P16070 1/20 0.37
TSHR P16473 1/20 0.36
ACHE P22303 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL3842079 0.87 TAAR1 (0.56) TAAR1HTR2AHTR1DHTR7SMN1; SMN2
SCHEMBL612360 0.84 TAAR1 (0.47) TAAR1HTR7MAOACYP2A6CYP1A2
SCHEMBL8096178 0.84 CYP2A6 (0.45) TAAR1HTR1DMAPTNPSR1CYP2A6
SCHEMBL8095408 0.84 CYP2A6 (0.45) TAAR1HTR1DSMN1; SMN2MAPTNPSR1
SCHEMBL8093953 0.81 CYP2A6 (0.43) TAAR1HTR1DSMN1; SMN2MAPTNPSR1
SCHEMBL8101082 0.81 CYP2A6 (0.43) TAAR1HTR1DSMN1; SMN2MAPTNPSR1
SCHEMBL8097070 0.81 CYP2A6 (0.43) TAAR1HTR1DSMN1; SMN2MAPTNPSR1
SCHEMBL8093240 0.81 CYP2A6 (0.43) TAAR1HTR1DSMN1; SMN2MAPTNPSR1
SCHEMBL8096579 0.81 CYP2A6 (0.43) TAAR1HTR1DSMN1; SMN2MAPTNPSR1
SCHEMBL8087584 0.81 CYP2A6 (0.43) TAAR1HTR1DSMN1; SMN2MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020230132-A1 COMPOSITIONS FOR CROP PROTECTION AGREMATCH LTD. (IL) 2020-11-19 WO disclosed
US-20150252056-A1 BICYCLIC OXA-LACTAM KINASE INHIBITORS ALEXION PHARMACEUTICALS, INC. 2015-09-10 US disclosed
US-5011938-A Antimicrobials ELI LILLY AND COMPANY (US) 1991-04-30 US disclosed
US-4940718-A BACTERICIDES ELI LILLY AND COMPANY (US) 1990-07-10 US disclosed
US-4727189-A ANALGESICS, ANTIHYPERTENSIVE AGENTS G. D. SEARLE & CO. (US) 1988-02-23 US disclosed
EP-0202046-A1 7-Substituted bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-20 EP disclosed
US-4599325-A ANALGESIC, HYPOTENSIVE G. D. SEARLE & CO. (US) 1986-07-08 US disclosed
EP-0154234-A2 Substituted tyrosil alanine dipeptide amides G.D. Searle & Co. (US) 1985-09-11 EP 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-20150252056-A1 BICYCLIC OXA-LACTAM KINASE INHIBITORS SYK, BTK, JAK2 TAAR1 4613/4885HTR2A 4159/4885HTR1D 4143/4885

“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.