SCHEMBL4851028

SCHEMBL4851028

CCNCCc1ccccc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.64
MTNR1A P48039 1/20 0.58
MTNR1B P49286 1/20 0.58
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA5A P35218 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
TAAR1 Q96RJ0 1/20 0.56
HTR2A P28223 3/20 0.54
HTR2C P28335 2/20 0.54
HRH1 P35367 1/20 0.54
OPRM1 P35372 1/20 0.54
OPRK1 P41145 1/20 0.54
HTR2B P41595 1/20 0.54
HTR6 P50406 1/20 0.54
BCHE P06276 4/20 0.54
CHRM2 P08172 4/20 0.53
GRIN1 Q05586 3/20 0.53

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
SCHEMBL21243265 0.90 MPO (0.70) MPOMTNR1AMTNR1BCA12CA1
SCHEMBL27593083 0.89 MPO (0.66) MPOBCHECHRM2GRIN1GRIN2A
SCHEMBL15218669 0.84 CA12 (0.60) MPOCA12CA1CA2CA14
SCHEMBL24713016 0.84 ALDH1A1 (0.55) MPOHTR2A
SCHEMBL7917106 0.82 BCHE (0.62) MPOMTNR1AMTNR1BTAAR1HTR2A
SCHEMBL158584 0.82 TAAR1 (0.67) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL29467401 0.82 TAAR1 (0.67) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL3994288 0.82 CHRM2 (0.67) BCHECHRM2GRIN1GRIN2AACHE
SCHEMBL681494 0.81 MTNR1A (0.62) MPOMTNR1AMTNR1BCA12CA1
SCHEMBL3130371 0.81 CHRM2 (0.66) BCHECHRM2GRIN1GRIN2AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102050766-B Synthesis method for amosulalol hydrochloride ANHUI NEW STAR PHARMACEUTICAL DEV CO LTD 2013-08-07 CN disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
CN-102050766-A Synthesis method for amosulalol hydrochloride ANHUI NEW STAR PHARMACEUTICAL DEV CO LTD 2011-05-11 CN disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 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
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-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 MPO 354/4885MTNR1A 67/4885MTNR1B 97/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 MPO 354/4885MTNR1A 67/4885MTNR1B 97/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE MPO 246/4885MTNR1A 100/4885MTNR1B 129/4885
US-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 MPO 180/4885MTNR1A 2892/4885MTNR1B 2314/4885

“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.