SCHEMBL4366189

SCHEMBL4366189

COc1cccc2c(C3=CCNCC3)coc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 4/20 0.46
CDK9 P50750 4/20 0.46
QDPR P09417 1/20 0.43
HTR2C P28335 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
HSD17B10 Q99714 2/20 0.43
DRD2 P14416 1/20 0.43
ALOX15 P16050 1/20 0.43
HTR6 P50406 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTR1D P28221 1/20 0.43
MAPK1 P28482 1/20 0.43
BRCA1 P38398 1/20 0.43
HTR1A P08908 5/20 0.42
LMNA P02545 1/20 0.40

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
SCHEMBL614978 0.76 CCNT1 (0.57) CCNT1CDK9QDPRHTR2CALDH1A1
SCHEMBL31348179 0.76 CCNT1 (0.57) CCNT1CDK9QDPRHTR2CALDH1A1
SCHEMBL16802138 0.75 HTR2C (0.57) CCNT1CDK9QDPRHTR2CALDH1A1
Hydrochloric Acid SCHEMBL13584450 0.74 HTR2C (0.54) QDPRHTR2CALDH1A1KDM4EMAPT
SCHEMBL4144078 0.73 SUV39H2 (0.39) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL6816705 0.72 MET (0.45) CCNT1CDK9QDPRHTR2CALDH1A1
SCHEMBL10903369 0.72 CCNT1 (0.43) CCNT1CDK9QDPRHTR2CALDH1A1
SCHEMBL10903364 0.72 QDPR (0.49) CCNT1CDK9QDPRALDH1A1KDM4E
SCHEMBL11740786 0.70 KDM4E (0.49) ALDH1A1KDM4EMAPTHSD17B10MEN1
SCHEMBL10557861 0.70 HTR2A (0.65) CCNT1CDK9QDPRHTR2CALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans WYETH (US) 2009-02-12 US disclosed
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans WYETH (US) 2009-02-12 US disclosed
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans WYETH (US) 2009-02-12 US disclosed
US-7479500-B2 Antidepressant piperidine derivatives of heterocyclefused benzodioxans WYETH (US) 2009-01-20 US disclosed
US-7479500-B2 Antidepressant piperidine derivatives of heterocyclefused benzodioxans WYETH (US) 2009-01-20 US disclosed
US-7479500-B2 Antidepressant piperidine derivatives of heterocyclefused benzodioxans WYETH (US) 2009-01-20 US disclosed
US-20050228009-A1 Antidepressant piperidine derivatives of heterocyclefused benzodioxans WYETH (US) 2005-10-13 US disclosed
US-6939877-B2 Antidepressant piperidine derivatives of heterocycle-fused benzodioxans WYETH (US) 2005-09-06 US disclosed
EP-1537120-A1 ANTIDEPRESSANT PIPERIDINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS Wyeth, A Corporation of the State of Delaware (US) 2005-06-08 EP disclosed
US-20040147523-A1 Antidepressant piperidine derivatives of heterocycle-fused benzodioxans WYETH 2004-07-29 US disclosed
WO-2004024733-A1 ANTIDEPRESSANT PIPERIDINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2004-03-25 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 (3 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-20050228009-A1 Antidepressant piperidine derivatives of heterocyclefused benzodioxans HTR5A, OPRD1, DRD2 CCNT1 1490/4885CDK9 428/4885QDPR 551/4885
US-20040147523-A1 Antidepressant piperidine derivatives of heterocycle-fused benzodioxans HTR5A, OPRD1, CRH CCNT1 1970/4885CDK9 390/4885QDPR 619/4885
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans HTR5A, OPRD1, CRH CCNT1 2021/4885CDK9 361/4885QDPR 546/4885

“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.