SCHEMBL3282996

SCHEMBL3282996

c1cc2c(c(N3CCCC3)c1)OCCNC2

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.50
HTR2C P28335 4/20 0.47
HTR2B P41595 2/20 0.47
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR1A P08908 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
PMP22 Q01453 1/20 0.41
HTR6 P50406 4/20 0.40
HTR2A P28223 2/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD3 P35462 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
SSTR4 P31391 2/20 0.38

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 SCHEMBL3276614 0.98 ADRB1 (0.49) ADRB1HTR2CHTR2BALDH1A1LMNA
Hydrochloric Acid SCHEMBL3281370 0.97 ADRB1 (0.48) ADRB1HTR2CHTR2BALDH1A1LMNA
SCHEMBL4336202 0.90 ADRB1 (0.49) ADRB1HTR2CHTR2BALDH1A1LMNA
Hydrochloric Acid SCHEMBL3276604 0.88 ADRB1 (0.48) ADRB1HTR2CHTR2BALDH1A1LMNA
SCHEMBL3277155 0.80 ADRB1 (0.40) ADRB1HTR2CHTR2BALDH1A1LMNA
Bromide SCHEMBL3277525 0.77 HTR2C (0.38) ADRB1HTR2CHTR2BALDH1A1CYP3A4
SCHEMBL3610680 0.77 ADRB1 (0.58) ADRB1HTR2CHTR6HTR2ADRD2
Hydrochloric Acid SCHEMBL3276931 0.76 SSTR4 (0.37) ADRB1HTR2CHTR2BHTR6HTR2A
SCHEMBL3615477 0.76 ADRB1 (0.61) ADRB1HTR2CHTR1AHTR6HTR2A
SCHEMBL3605703 0.75 ADRB1 (0.57) ADRB1HTR2CHTR2BHTR1AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2123644-B1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-12-17 EP disclosed
US-8247403-B2 Benzoxazepine derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-21 US disclosed
US-20100087418-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-04-08 US disclosed
EP-2123644-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-11-25 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 (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-20100087418-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF HTR2C, HTR5A, HTR2B ADRB1 86/4885HTR2C 1/4885HTR2B 3/4885

“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.