SCHEMBL4858847

SCHEMBL4858847

c1cc2c3c(c1)NSN3CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.41
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
CES1 P23141 2/20 0.38
HTR2B P41595 1/20 0.37
ALOX12 P18054 1/20 0.37
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTR1A P08908 1/20 0.31
TSHR P16473 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30

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
SCHEMBL4853720 0.76 HTR2C (0.49) HTR2CALDH1A1GAACES1HTR2B
SCHEMBL14281829 0.67 HTR2C (0.50) HTR2CALDH1A1GAACES1HTR2B
SCHEMBL60540 0.66 HTR2C (0.69) HTR2CALDH1A1GAACES1HTR2B
Bromide SCHEMBL8863742 0.65 HTR2C (0.67) HTR2CALDH1A1GAACES1HTR2B
SCHEMBL18602449 0.64 ALDH1A1 (0.46) HTR2CALDH1A1GAACES1HTR2B
SCHEMBL4859772 0.64 HTR2C (0.46) HTR2CALDH1A1CES1HTR2BKDM4E
SCHEMBL2338214 0.63 HTR2C (0.65) HTR2CALDH1A1CES1HTR2BALOX12
SCHEMBL4492996 0.63 HTR2C (0.68) HTR2CALDH1A1GAACES1HTR2B
SCHEMBL19122704 0.62 CES1 (0.53) HTR2CALDH1A1CES1HTR2BALOX12
SCHEMBL22770710 0.61 HTR2C (0.61) HTR2CALDH1A1GAACES1HTR2B

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 3019/4885ALDH1A1 346/4885GAA 89/4885
US-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 HTR2C 1295/4885ALDH1A1 118/4885GAA 372/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 HTR2C 1295/4885ALDH1A1 118/4885GAA 372/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE HTR2C 2649/4885ALDH1A1 212/4885GAA 122/4885

“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.