SCHEMBL23645905

SCHEMBL23645905

O=C(Nc1cccnc1)NC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.57
NAMPT P43490 1/20 0.55
ALDH1A1 P00352 3/20 0.54
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
GAA P10253 2/20 0.53
MAPT P10636 2/20 0.53
POLB P06746 1/20 0.52
EPHX2 P34913 1/20 0.52
KDM4E B2RXH2 2/20 0.52
HPGD P15428 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KIT P10721 1/20 0.51
AGTR1 P30556 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL23111643 0.89 ALDH1A1 (0.57) ALDH1A1GAAMAPTAGTR1HTT
SCHEMBL23645902 0.86 LMNA (0.54) ALDH1A1GAAMAPTAGTR1HTT
SCHEMBL22685996 0.82 TRPV1 (0.60) TRPV1POLBEPHX2
SCHEMBL29655736 0.82 TRPV1 (0.60) TRPV1POLBEPHX2
SCHEMBL23645957 0.80 MAPT (0.53) NAMPTALDH1A1CYP2C9CYP2C19GAA
SCHEMBL6192649 0.80 MAPT (0.62) ALDH1A1CYP2C9CYP2C19GAAMAPT
SCHEMBL23645900 0.79 LMNA (0.64) ALDH1A1CYP2C9CYP2C19GAAMAPT
SCHEMBL23645937 0.79 ALDH1A1 (0.54) ALDH1A1
SCHEMBL13865684 0.78 CYP2C9 (0.49) TRPV1ALDH1A1CYP2C9CYP2C19GAA
SCHEMBL22686005 0.78 POLB (0.57) TRPV1POLBEPHX2

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-11897865-B2 ABHD12 inhibitors and methods of making and using same THE SCRIPPS RESEARCH INSTITUTE (US) 2024-02-13 US disclosed
EP-3793552-B1 ABHD12 INHIBITORS AND METHODS OF MAKING AND USING SAME SCRIPPS RESEARCH INST (US) 2023-07-12 EP disclosed
EP-3793552-B1 ABHD12 INHIBITORS AND METHODS OF MAKING AND USING SAME SCRIPPS RESEARCH INST (US) 2023-07-12 EP disclosed
US-20210221790-A1 ABHD12 INHIBITORS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2021-07-22 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-11897865-B2 ABHD12 inhibitors and methods of making and using same ABHD12, SAMHD1, ABHD11 TRPV1 4789/4885NAMPT 1057/4885ALDH1A1 2729/4885
US-20210221790-A1 ABHD12 INHIBITORS AND METHODS OF MAKING AND USING SAME ABHD12, SAMHD1, ABHD11 TRPV1 4789/4885NAMPT 1057/4885ALDH1A1 2729/4885

“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.