SCHEMBL1389876

SCHEMBL1389876

O=C(O)CC1c2ccccc2CCc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.55
RET P07949 1/20 0.55
HTR2C P28335 2/20 0.49
SLC6A3 Q01959 1/20 0.49
EGFR P00533 1/20 0.47
ACP3 P15309 1/20 0.47
TSHR P16473 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
OPRM1 P35372 1/20 0.43
CHRM1 P11229 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
CHRM3 P20309 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.42
KCNH2 Q12809 1/20 0.42

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 SCHEMBL10743675 0.98 HTR2A (0.53) HTR2ARETHTR2CSLC6A3EGFR
SCHEMBL14407922 0.89 HTR2A (0.55) HTR2AHTR2CEGFRHRH1
SCHEMBL11229958 0.86 MEN1 (0.44) HTR2ARETACP3OPRM1
SCHEMBL9245535 0.86 HTR2A (0.46) HTR2ARETHTR2CSLC6A3EGFR
SCHEMBL7597435 0.85 HTR2A (0.45) HTR2ARETHTR2CSLC6A3EGFR
Hydrochloric Acid SCHEMBL9247364 0.85 RET (0.45) HTR2ARETHTR2CSLC6A3EGFR
SCHEMBL10962986 0.85 HTR2A (0.41) HTR2ARETHTR2CSLC6A3EGFR
SCHEMBL10743668 0.83 HTR2A (0.53) HTR2ARETHTR2CSLC6A3ACP3
SCHEMBL8615765 0.81 AKR1B1 (0.45) HTR2AHTR2CEGFRHRH1
SCHEMBL6301812 0.81 TSHR (0.47) HTR2ARETEGFRTSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 US disclosed
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 US disclosed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 US disclosed
EP-0772590-B1 THROMBIN INHIBITORS MERCK & CO INC (US) 2002-10-09 EP disclosed
US-5449778-A Peptide intermediates WARNER-LAMBERT COMPANY (US) 1995-09-12 US disclosed
EP-0637305-A1 NOVEL CYCLIC AMINO ACIDS AND DERIVATIVES THEREOF WARNER-LAMBERT COMPANY (US) 1995-02-08 EP disclosed
US-5380925-A Cyclic amino acids and derivatives thereof WARNER-LAMBERT COMPANY (US) 1995-01-10 US disclosed
US-5264577-A Cyclic amino acids and derivatives thereof WARNER-LAMBERT COMPANY (US) 1993-11-23 US disclosed
WO-1993021176-A1 NOVEL CYCLIC AMINO ACIDS AND DERIVATIVES THEREOF WARNER-LAMBERT COMPANY (US) 1993-10-28 WO disclosed
US-4691040-A ANTIHISTAMINES, ANTIALLERGENS, HALIDES, SULFONATES, PYRROLIDINE HOFFMANN-LA ROCHE INC. (US) 1987-09-01 US disclosed
EP-0056617-B1 CYCLOHEPTENE DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, AND PHARMCEUTICALS CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-11-13 EP disclosed
US-4513002-A ATIALLERGENS;ANTIHISTAMINES HOFFMANN-LA ROCHE INC. (US) 1985-04-23 US disclosed
EP-0056617-A2 Cycloheptene derivatives, process and intermediates for their preparation, and pharmceuticals containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-07-28 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 (3 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-20080132562-A1 TETRONIC AND TETRAMIC ACIDS BACE1, PSEN1, BACE2 HTR2A 2974/4885RET 1266/4885HTR2C 4661/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 HTR2A 2974/4885RET 1266/4885HTR2C 4661/4885
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 HTR2A 204/4885RET 1629/4885HTR2C 216/4885

“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.