SCHEMBL5954750

SCHEMBL5954750

Cc1ccc(-c2ccn(C(=O)N[C@@H]3C4CCN(CC4)[C@H]3C)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.36
DHCR7 Q9UBM7 1/20 0.36
ALDH1A1 P00352 2/20 0.34
LMNA P02545 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.33
FPR1 P21462 2/20 0.32
FPR2 P25090 2/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KIF11 P52732 1/20 0.31
MCHR1 Q99705 1/20 0.31
KCNT1 Q5JUK3 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL5955633 0.90 CHRNA7 (0.35) ALDH1A1TSHR
SCHEMBL5955571 0.90 USP30 (0.35) ALDH1A1TSHRMCHR1
SCHEMBL5955699 0.89 CHRNB2 (0.34) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL5386564 0.88 CHRNB2 (0.38) ALDH1A1MAPTNPC1RAB9A
SCHEMBL5955656 0.87 CHRNA7 (0.39) ALDH1A1NPSR1MAPTRAB9A
SCHEMBL5955557 0.87 ALDH1A1 (0.32) ALDH1A1LMNANPSR1TSHRCYP2C19
SCHEMBL5954713 0.83 CHRNA7 (0.35)
SCHEMBL5955618 0.83 CHRNA7 (0.35) MCHR1
SCHEMBL5955010 0.81 KMT2A (0.43) ALDH1A1TSHRMCHR1
SCHEMBL5954891 0.81 CHRNB2 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060116395-A1 1H-pyrazole and 1h-pyrole-azabicyclic compounds for the treatment of disease PFIZER INC 2006-06-01 US claimed
EP-1542999-A1 1H-PYRAZOLE AND 1H-PYRROLE-AZABICYCLIC COMPOUNDS WITH ALFA-7 NACHR ACTIVITY Pharmacia & Upjohn Company LLC (US) 2005-06-22 EP claimed
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease PIOTROWSKI DAVID W (US) 2004-05-06 US claimed
WO-2004013137-A1 1H-PYRAZOLE AND 1H-PYRROLE-AZABICYCLIC COMPOUNDS WITH ALFA-7 NACHR ACTIVITY PHARMACIA & UPJOHN COMPANY LLC (US) 2004-02-12 WO claimed

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-20060116395-A1 1H-pyrazole and 1h-pyrole-azabicyclic compounds for the treatment of disease CYP7B1, P2RX7, CYP3A7 EBP 913/4885DHCR7 141/4885ALDH1A1 426/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 EBP 1335/4885DHCR7 383/4885ALDH1A1 112/4885

“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.