SCHEMBL4346229

SCHEMBL4346229

OCCc1c[nH]c2ccc(-n3cncn3)cc12

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.72
HTR1A P08908 2/20 0.72
HTR1D P28221 15/20 0.55
HTR1B P28222 15/20 0.55
CYP2D6 P10635 1/20 0.48
ADRA2C P18825 1/20 0.46
HTR2A P28223 1/20 0.46
HRH1 P35367 1/20 0.46
HTR2B P41595 1/20 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
SCHEMBL6938670 0.87 HTR1A (0.72) HTR2CHTR1AHTR1DHTR1BCYP2D6
SCHEMBL8783731 0.84 HTR1A (1.00) HTR2CHTR1AHTR1DHTR1BCYP2D6
SCHEMBL9077790 0.82 HTR1D (0.68) HTR2CHTR1AHTR1DHTR1BHTR2A
SCHEMBL8662568 0.79 HTR1D (0.71) HTR2CHTR1AHTR1DHTR1BHTR2A
SCHEMBL8805258 0.79 HTR1D (0.70) HTR2CHTR1AHTR1DHTR1B
SCHEMBL7480727 0.79 HTR1D (0.70) HTR2CHTR1DHTR1B
SCHEMBL4344147 0.78 HTR1D (0.73) HTR2CHTR1AHTR1DHTR1BCYP2D6
SCHEMBL8659017 0.77 HTR1D (0.63) HTR2CHTR1AHTR1DHTR1B
SCHEMBL4579559 0.77 HTR1D (0.54) HTR2CHTR1AHTR1DHTR1BCYP2D6
SCHEMBL7471152 0.75 HTR1D (0.73) HTR2CHTR1AHTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1796675-A4 COMPOSITIONS AND METHODS FOR TREATING OPHTHALMIC DISEASES MERCK & CO INC (US) 2009-03-04 EP disclosed
US-20080096859-A1 Compositions and Methods for Treating Ophthalmic Diseases MERCK SHARP & DOHME CORP. 2008-04-24 US disclosed
EP-1796675-A2 COMPOSITIONS AND METHODS FOR TREATING OPHTHALMIC DISEASES Merck & Co., Inc. (US) 2007-06-20 EP disclosed
WO-2006039252-A2 COMPOSITIONS AND METHODS FOR TREATING OPHTHALMIC DISEASES MERCK & CO., INC. (US) 2006-04-13 WO disclosed
US-5854268-A Azetidine, pyrrolidine and piperidine derivatives MERCK SHARP & DOHME, LTD. (GB) 1998-12-29 US disclosed
EP-0804434-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1997-11-05 EP disclosed
WO-1996004274-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1996-02-15 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 (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-20080096859-A1 Compositions and Methods for Treating Ophthalmic Diseases CXCL12, CXCR4, CX3CR1 HTR2C 4375/4885HTR1A 3110/4885HTR1D 3404/4885

“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.