SCHEMBL1315510

SCHEMBL1315510

CCN(Cc1ccncc1)C(=O)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
ALDH1A1 P00352 6/20 0.54
USP2 O75604 2/20 0.47
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.44
ESR1 P03372 1/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
MAPT P10636 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
BLM P54132 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44

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
Hydrochloric Acid SCHEMBL1313021 0.99 POLB (0.54) POLBALDH1A1USP2KMT2AKDM4E
SCHEMBL20236187 0.82 ALDH1A1 (0.53) ALDH1A1USP2KMT2AKDM4EESR1
SCHEMBL22217745 0.80 NAMPT (0.46) ALDH1A1USP2KMT2AKDM4EESR1
SCHEMBL1312938 0.80 POLB (0.57) POLBALDH1A1USP2KMT2AKDM4E
SCHEMBL20237063 0.80 ALDH1A1 (0.56) POLBALDH1A1USP2KMT2AKDM4E
SCHEMBL20236106 0.80 POLB (0.50) POLBALDH1A1USP2KMT2AKDM4E
SCHEMBL12086329 0.77 POLB (0.86) POLBALDH1A1KDM4ECYP2C19LMNA
SCHEMBL20237064 0.75 KMT2A (0.48) POLBALDH1A1USP2KMT2AKDM4E
SCHEMBL22217691 0.74 NAMPT (0.43) ALDH1A1USP2KMT2AKDM4EESR1
SCHEMBL22217989 0.74 HDAC1 (0.54) POLBKMT2ALMNAMEN1MLYCD

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
CN-102245183-A New compounds v BIOVITRUM AB PUBL 2011-11-16 CN claimed
US-20110275637-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2011-11-10 US claimed
CN-102245183-A New compounds v BIOVITRUM AB PUBL 2011-11-16 CN disclosed
US-20110275637-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2011-11-10 US disclosed
US-20110275637-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2011-11-10 US disclosed
US-20110275637-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2011-11-10 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-20110275637-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS ADIPOR2, GPR119, ADIPOR1 POLB 3368/4885ALDH1A1 1875/4885USP2 2611/4885

“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.