SCHEMBL3605635

SCHEMBL3605635

OC(c1ccc(N2CCNCC2)nc1)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 4/20 0.55
ADRB1 P08588 3/20 0.43
PLD1 Q13393 1/20 0.43
HPGDS O60760 1/20 0.42
ADRB2 P07550 1/20 0.42
GPR119 Q8TDV5 1/20 0.39
BPTF Q12830 1/20 0.39
EPHX2 P34913 1/20 0.38
CYP1A2 P05177 3/20 0.37
CYP2C19 P33261 1/20 0.37
CYP2C9 P11712 1/20 0.37
HTR3E A5X5Y0 1/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
HTR3B O95264 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR1A P08908 1/20 0.37
HTR2C P28335 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL2421281 0.87 OGA (0.58) OGAHPGDSKDM4EALDH1A1PANK3
SCHEMBL2617748 0.80 PLD1 (0.49) ADRB1PLD1ADRB2GPR119BPTF
SCHEMBL27772209 0.80 PLD1 (0.43) OGAADRB1PLD1HPGDSGPR119
Hydrochloric Acid SCHEMBL2119097 0.79 PLD1 (0.47) ADRB1PLD1ADRB2GPR119BPTF
SCHEMBL20639675 0.79 OGA (0.54) OGAGPR119CYP3A4PANK3
SCHEMBL19296234 0.78 OGA (0.57) OGAADRB1PLD1GPR119BPTF
SCHEMBL11914068 0.77 PLD1 (0.49) ADRB1PLD1GPR119BPTFCYP1A2
SCHEMBL4940539 0.77 ADRB1 (0.49) ADRB1PLD1ADRB2HTR3EKDM4E
Hydrochloric Acid SCHEMBL19283992 0.77 OGA (0.56) OGAADRB1PLD1GPR119BPTF
SCHEMBL15316690 0.75 ADRB1 (0.50) OGAADRB1PLD1HPGDSADRB2

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
EP-2137162-B1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2018-08-01 EP disclosed
EP-2137162-B1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2018-08-01 EP disclosed
US-8536168-B2 Benzyl and pyridinyl derivatives as modulators of the hedgehog signaling pathway NOVARTIS AG (CH) 2013-09-17 US disclosed
US-8536168-B2 Benzyl and pyridinyl derivatives as modulators of the hedgehog signaling pathway NOVARTIS AG (CH) 2013-09-17 US disclosed
US-8536168-B2 Benzyl and pyridinyl derivatives as modulators of the hedgehog signaling pathway NOVARTIS AG (CH) 2013-09-17 US disclosed
US-20100069368-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2010-03-18 US disclosed
US-20100069368-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2010-03-18 US disclosed
US-20100069368-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2010-03-18 US disclosed
EP-2137162-A1 ORGANIC COMPOUNDS AND THEIR USES Novartis Ag (CH) 2009-12-30 EP disclosed
WO-2008110611-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2008-09-18 WO disclosed
WO-2008110611-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2008-09-18 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 (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-20100069368-A1 Organic Compounds and Their Uses SHH, GLI1, VHL OGA 833/4885ADRB1 4750/4885PLD1 2556/4885

“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.