SCHEMBL12548172

SCHEMBL12548172

Cc1cc(C(C)(C)C)nc(N2CCCCC2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 4/20 0.46
▸ KMT2A Q03164 6/20 0.44
▸ MEN1 O00255 5/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ HPGD P15428 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAPK1 P28482 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ TP53 P04637 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
SCHEMBL13693076 0.83 KMT2A (0.55) GBA1KMT2AMEN1ALDH1A1HPGD
SCHEMBL12549092 0.81 HRH4 (0.42) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL1708189 0.81 KMT2A (0.56) GBA1KMT2AMEN1ALDH1A1HPGD
SCHEMBL12570448 0.79 MEN1 (0.49) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL13033934 0.77 KMT2A (0.56) GBA1KMT2AMEN1ALDH1A1HPGD
SCHEMBL15582005 0.77 GBA1 (0.69) GBA1KMT2ACRHBPCRHR2SMN1; SMN2
SCHEMBL5524235 0.76 ALDH1A1 (0.45) GBA1ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL3409761 0.75 HTT (0.50) GBA1KMT2AMEN1HPGDCRHBP
SCHEMBL5519910 0.74 RBP4 (0.43) GBA1KMT2AMEN1ALDH1A1HPGD
SCHEMBL6298712 0.74 GBA1 (0.71) GBA1KMT2ACRHBPCRHR2SMN1; SMN2

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-8476225-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-07-02 — — US disclosed
US-20110135604-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-06-09 — — US disclosed
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 — — US disclosed
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 — — US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 — — US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 — — 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-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK GBA1 1074/4885KMT2A 2987/4885MEN1 2003/4885
US-20110135604-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 GBA1 535/4885KMT2A 3803/4885MEN1 4292/4885

“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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