SCHEMBL4602724

SCHEMBL4602724

COCC[CH]c1c[nH]c2ccc(F)cc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ GPR84 Q9NQS5 2/20 0.46
▸ CAPN1 P07384 1/20 0.46
▸ CAPN2 P17655 1/20 0.46
▸ MPO P05164 5/20 0.46
▸ HTR2A P28223 2/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ SPR P35270 1/20 0.43
▸ TRPM8 Q7Z2W7 1/20 0.42
▸ IDO1 P14902 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HTR1A P08908 1/20 0.41

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
SCHEMBL4602807 0.92 MEN1 (0.45) KMT2AMEN1NPC1USP2RAB9A
SCHEMBL4601800 0.90 TDO2 (0.50) GPR84HTR2AIDO1ALDH1A1HTR1A
SCHEMBL27788547 0.84 MPO (0.52) KMT2AMEN1NPC1USP2RAB9A
SCHEMBL4602444 0.82 TDO2 (0.48) GPR84HTR2AIDO1ALDH1A1HTR1A
SCHEMBL27640766 0.82 MPO (0.56) KMT2AMEN1NPC1USP2RAB9A
SCHEMBL4603999 0.79 CYP2A6 (0.50) KMT2AMEN1NPC1USP2RAB9A
SCHEMBL3741787 0.75 KMT2A (0.56) KMT2AMEN1NPC1USP2RAB9A
SCHEMBL25884870 0.75 MPO (0.65) KMT2AGPR84MPOHTR2ASPR
SCHEMBL13957453 0.73 CAPN1 (0.56) KMT2AMEN1NPC1USP2RAB9A
SCHEMBL29935857 0.72 CAPN1 (0.59) KMT2AMEN1NPC1USP2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242662-A1 Organic Compounds NIHONYANAGI ATSUKO 2008-10-02 — — US claimed
EP-1915366-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS Novartis AG (CH) 2008-04-30 — — EP claimed
WO-2006128659-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS. NOVARTIS AG (CH) 2006-12-07 — — WO claimed
US-20080242662-A1 Organic Compounds NIHONYANAGI ATSUKO 2008-10-02 — — US disclosed
EP-1915366-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS Novartis AG (CH) 2008-04-30 — — EP disclosed
WO-2006128659-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS. NOVARTIS AG (CH) 2006-12-07 — — 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-20080242662-A1 Organic Compounds REN, ACE, ECE1 KMT2A 3596/4885MEN1 1740/4885NPC1 1447/4885

“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.

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