SCHEMBL3874745

SCHEMBL3874745

OCCCC1c2ccccc2C=Cc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.61
HRH1 P35367 6/20 0.61
KDM4E B2RXH2 2/20 0.61
CYP2D6 P10635 2/20 0.61
CHRM2 P08172 2/20 0.61
CHRM1 P11229 2/20 0.61
DRD2 P14416 2/20 0.61
ADRA2B P18089 2/20 0.61
ADRA2C P18825 2/20 0.61
SLC6A2 P23975 2/20 0.61
ADRA1A P35348 2/20 0.61
DRD3 P35462 2/20 0.61
CACNA1B Q00975 2/20 0.61
SLC6A3 Q01959 2/20 0.61
KCNH2 Q12809 2/20 0.61
LMNA P02545 1/20 0.61
TP53 P04637 1/20 0.61
CYP3A4 P08684 1/20 0.61
NFKB1 P19838 1/20 0.61
CHRM3 P20309 1/20 0.61

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
SCHEMBL9874718 0.88 HTR2A (0.57) HTR2AHRH1KDM4ECYP2D6CHRM2
SCHEMBL8993284 0.81 HTR2A (0.52) HTR2AHRH1KDM4ECYP2D6CHRM2
SCHEMBL11726371 0.80 HTR2A (0.64) HTR2AHRH1KDM4ECYP2D6CHRM2
SCHEMBL11430690 0.80 HTR2A (0.61) HTR2AHRH1KDM4ECYP2D6CHRM2
SCHEMBL13248564 0.79 HTR2A (0.57) HTR2AHRH1KDM4ECYP2D6CHRM2
SCHEMBL9205280 0.79 HTR2A (0.61) HTR2AHRH1KDM4ECYP2D6CHRM2
SCHEMBL6055363 0.77 HTR6 (0.47) HTR2AHRH1KDM4ECYP2D6CHRM2
Nitric Acid SCHEMBL9874960 0.77 HTR2A (0.46) HTR2AHRH1KDM4ECYP2D6CHRM2
Protriptyline SCHEMBL34267 0.76 HTR2A (1.00) HTR2AHRH1KDM4ECYP2D6CHRM2
Protriptyline SCHEMBL29374478 0.76 HTR2A (1.00) HTR2AHRH1KDM4ECYP2D6CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102146-A2 PROCESS FOR PREPARATION OF 5H-DIBENZOÝA,D¨CYCLOHEPTENE DERIVATIVES Apicore, LLC (US) 2009-09-23 EP claimed
US-7446227-B2 Process for preparation of 5H-dibenzo[a,d] cycloheptene derivatives APICORE, LLC (US) 2008-11-04 US claimed
US-20080242892-A1 PROCESS FOR PREPARATION OF 5H DIBENZO[a,d] CYCLOHEPTENE DERIVATIVES APICORE, LLC (US) 2008-10-02 US claimed
WO-2008073646-A2 PROCESS FOR PREPARATION OF 5H-DIBENZO[A,D] CYCLOHEPTENE DERIVATIVES APICORE, LLC (US) 2008-06-19 WO claimed
US-20080139848-A1 PROCESS FOR PREPARATION OF 5H-DIBENZO[A,D] CYCLOHEPTENE DERIVATIVES APICORE, LLC (US) 2008-06-12 US claimed
EP-2102146-A2 PROCESS FOR PREPARATION OF 5H-DIBENZOÝA,D¨CYCLOHEPTENE DERIVATIVES Apicore, LLC (US) 2009-09-23 EP disclosed
US-7446227-B2 Process for preparation of 5H-dibenzo[a,d] cycloheptene derivatives APICORE, LLC (US) 2008-11-04 US disclosed
US-7446227-B2 Process for preparation of 5H-dibenzo[a,d] cycloheptene derivatives APICORE, LLC (US) 2008-11-04 US disclosed
US-7446227-B2 Process for preparation of 5H-dibenzo[a,d] cycloheptene derivatives APICORE, LLC (US) 2008-11-04 US disclosed
US-20080242892-A1 PROCESS FOR PREPARATION OF 5H DIBENZO[a,d] CYCLOHEPTENE DERIVATIVES APICORE, LLC (US) 2008-10-02 US disclosed
US-20080242892-A1 PROCESS FOR PREPARATION OF 5H DIBENZO[a,d] CYCLOHEPTENE DERIVATIVES APICORE, LLC (US) 2008-10-02 US disclosed
US-20080242892-A1 PROCESS FOR PREPARATION OF 5H DIBENZO[a,d] CYCLOHEPTENE DERIVATIVES APICORE, LLC (US) 2008-10-02 US disclosed
WO-2008073646-A2 PROCESS FOR PREPARATION OF 5H-DIBENZO[A,D] CYCLOHEPTENE DERIVATIVES APICORE, LLC (US) 2008-06-19 WO disclosed
WO-2008073646-A2 PROCESS FOR PREPARATION OF 5H-DIBENZO[A,D] CYCLOHEPTENE DERIVATIVES APICORE, LLC (US) 2008-06-19 WO disclosed
US-20080139848-A1 PROCESS FOR PREPARATION OF 5H-DIBENZO[A,D] CYCLOHEPTENE DERIVATIVES APICORE, LLC (US) 2008-06-12 US disclosed
US-20080139848-A1 PROCESS FOR PREPARATION OF 5H-DIBENZO[A,D] CYCLOHEPTENE DERIVATIVES APICORE, LLC (US) 2008-06-12 US disclosed
US-20080139848-A1 PROCESS FOR PREPARATION OF 5H-DIBENZO[A,D] CYCLOHEPTENE DERIVATIVES APICORE, LLC (US) 2008-06-12 US 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 (2 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-20080139848-A1 PROCESS FOR PREPARATION OF 5H-DIBENZO[A,D] CYCLOHEPTENE DERIVATIVES ADH1A, HTR1A, ADH1C HTR2A 11/4885HRH1 404/4885KDM4E 422/4885
US-20080242892-A1 PROCESS FOR PREPARATION OF 5H DIBENZO[a,d] CYCLOHEPTENE DERIVATIVES ADH1A, ADH1C, TPMT HTR2A 11/4885HRH1 542/4885KDM4E 390/4885

“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.