SCHEMBL4853720

SCHEMBL4853720

c1cc2c3c(c1)CNSN3CCC2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.49
HTR2B P41595 2/20 0.44
CES1 P23141 2/20 0.38
ALOX12 P18054 1/20 0.37
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTR1A P08908 1/20 0.31
TSHR P16473 2/20 0.31
SIGMAR1 Q99720 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL4859772 0.89 HTR2C (0.46) HTR2CHTR2BCES1ALDH1A1KDM4E
SCHEMBL4858847 0.76 HTR2C (0.41) HTR2CHTR2BCES1ALOX12ALDH1A1
SCHEMBL4862189 0.67 HTR2C (0.73) HTR2CHTR2BCES1ALOX12HTR1A
SCHEMBL60540 0.66 HTR2C (0.69) HTR2CHTR2BCES1ALOX12ALDH1A1
SCHEMBL4144174 0.66 HTR2C (1.00) HTR2CHTR2BHTR2A
Bromide SCHEMBL8863742 0.65 HTR2C (0.67) HTR2CHTR2BCES1ALOX12ALDH1A1
SCHEMBL4492996 0.63 HTR2C (0.68) HTR2CHTR2BCES1ALOX12ALDH1A1
SCHEMBL2338214 0.63 HTR2C (0.65) HTR2CHTR2BCES1ALOX12ALDH1A1
SCHEMBL19122704 0.62 CES1 (0.53) HTR2CHTR2BCES1ALOX12ALDH1A1
SCHEMBL22770710 0.61 HTR2C (0.61) HTR2CHTR2BCES1ALOX12ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-20070021391-A1 Preventive/remedy for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-25 US disclosed
US-7138533-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-21 US disclosed
US-7132547-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-07 US disclosed
US-20060211675-A1 Preventives/remedies for urinary disturbance ISHIHARA YUJI 2006-09-21 US disclosed
EP-1640021-A1 PREVENTIVE/REMEDY FOR URINARY DISTURBANCE Takeda Pharmaceutical Company Limited (JP) 2006-03-29 EP disclosed
US-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 US disclosed
US-20050197362-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-08 US disclosed
EP-1466625-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE Takeda Chemical Industries, Ltd. (JP) 2004-10-13 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 (4 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-20070021391-A1 Preventive/remedy for urinary disturbance ACHE, BCHE, CHAT HTR2C 3019/4885HTR2B 2680/4885CES1 109/4885
US-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 HTR2C 1295/4885HTR2B 1453/4885CES1 310/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 HTR2C 1295/4885HTR2B 1453/4885CES1 310/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE HTR2C 2649/4885HTR2B 2772/4885CES1 982/4885

“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.