SCHEMBL3309560

SCHEMBL3309560

COc1ccccc1C[Zn]Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.53
TAAR1 Q96RJ0 1/20 0.53
CHRM2 P08172 4/20 0.52
CHRM1 P11229 1/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
CA12 O43570 1/20 0.50
CA4 P22748 1/20 0.50
CA14 Q9ULX7 1/20 0.50
SIGMAR1 Q99720 1/20 0.47
AOC3 Q16853 1/20 0.47
GRIN1 Q05586 3/20 0.46
GRIN2A Q12879 3/20 0.46
BCHE P06276 2/20 0.46
ACHE P22303 2/20 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
Hydrochloric Acid SCHEMBL4305306 0.98 IDO1 (0.55) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL2729007 0.78 IDO1 (0.53) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL29377714 0.77 IDO1 (0.57) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL17804 0.77 IDO1 (0.57) IDO1TAAR1CHRM2CHRM1CA1
Hydrochloric Acid SCHEMBL4557442 0.77 IDO1 (0.55) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL28858018 0.77 TAAR1 (0.75) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL3296809 0.77 IDO1 (0.61) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL11031727 0.76 IDO1 (0.55) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL2904854 0.76 IDO1 (0.55) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL4076283 0.75 HRH1 (0.56) GAALMNA

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
WO-2010045009-A1 PHENYL AND HETEROARYL SUBSTITUTED THIENO[2,3-d] PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 WO disclosed
US-20100093721-A1 PHENYL AND HETEROARYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 US disclosed
US-20080009478-A1 Benzazepine Derivatives and Methods of Prophylaxis or Treatment of 5Ht2c Receptor Associated Diseases ARENA PHARMACEUTICALS, INC. (US) 2008-01-10 US disclosed
WO-2005042491-A1 BENZAZEPINE DERIVATIVES AND METHODS OF PROPHYLAXIS OR TREATMENT OF 5HT2C RECEPTOR ASSOCIATED DISEASES ARENA PHARMACEUTICALS, INC. (US) 2005-05-12 WO 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-20080009478-A1 Benzazepine Derivatives and Methods of Prophylaxis or Treatment of 5Ht2c Receptor Associated Diseases HTR2C, HTR2A, HTR2B IDO1 267/4885TAAR1 110/4885CHRM2 631/4885
US-20100093721-A1 PHENYL AND HETEROARYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA2B IDO1 342/4885TAAR1 113/4885CHRM2 83/4885

“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.