SCHEMBL14736897

SCHEMBL14736897

C[C@H]1CCCN1[C@H]1CCN(c2ccc3c(c2)CCN(c2ccc(F)cn2)C3)C1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.46
KCNH2 Q12809 6/20 0.46
ADRA1A P35348 1/20 0.40
CHIA Q9BZP6 1/20 0.40
CYP3A4 P08684 1/20 0.39
GPR119 Q8TDV5 1/20 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
SCHEMBL16612931 1.00 HRH3 (0.46) HRH3KCNH2ADRA1ACHIACYP3A4
SCHEMBL12181943 0.89 HRH3 (0.46) HRH3KCNH2CYP3A4GPR119
SCHEMBL12181944 0.88 GPR119 (0.40) HRH3KCNH2GPR119
SCHEMBL12181957 0.84 GPR119 (0.43) HRH3ADRA1ACHIAGPR119
SCHEMBL16612501 0.84 HRH3 (0.47) HRH3KCNH2CYP3A4
SCHEMBL2596398 0.84 HRH3 (0.47) HRH3KCNH2CYP3A4
SCHEMBL12181996 0.83 GPR119 (0.43) HRH3KCNH2CYP3A4GPR119
SCHEMBL12182151 0.82 GRIN2D (0.51) HRH3KCNH2CHIACYP3A4
SCHEMBL2596385 0.82 HRH3 (0.43) HRH3KCNH2CYP3A4
SCHEMBL12182110 0.82 HRH3 (0.44) HRH3KCNH2CYP3A4

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
EP-2569305-B1 SUBSTITUTED N-HETEROARYL TETRAHYDRO-ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2015-04-08 EP claimed
US-8623877-B2 Substituted N-heteroaryl tetrahydro-isoquinoline derivatives, preparation and therapeutic use thereof SANOFI (FR) 2014-01-07 US claimed
US-20130059838-A1 SUBSTITUTED N-HETEROARYL TETRAHYDRO-ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-07 US claimed
EP-2569305-B1 SUBSTITUTED N-HETEROARYL TETRAHYDRO-ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2015-04-08 EP disclosed
EP-2569305-B1 SUBSTITUTED N-HETEROARYL TETRAHYDRO-ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2015-04-08 EP disclosed
US-8623877-B2 Substituted N-heteroaryl tetrahydro-isoquinoline derivatives, preparation and therapeutic use thereof SANOFI (FR) 2014-01-07 US disclosed
US-8623877-B2 Substituted N-heteroaryl tetrahydro-isoquinoline derivatives, preparation and therapeutic use thereof SANOFI (FR) 2014-01-07 US disclosed
US-20130059838-A1 SUBSTITUTED N-HETEROARYL TETRAHYDRO-ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-07 US disclosed
US-20130059838-A1 SUBSTITUTED N-HETEROARYL TETRAHYDRO-ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-07 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 (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-20130059838-A1 SUBSTITUTED N-HETEROARYL TETRAHYDRO-ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF HRH3, HNMT, HRH4 HRH3 1/4885KCNH2 1274/4885ADRA1A 98/4885

“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.