SCHEMBL22918239

SCHEMBL22918239

CCc1ccc(C2CCN2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
CYP2A6 P11509 1/20 0.39
ALDH1A1 P00352 2/20 0.38
NISCH Q9Y2I1 1/20 0.38
MAPK1 P28482 2/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
KDM1A O60341 1/20 0.36
TP53 P04637 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
EP300 Q09472 1/20 0.35

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
SCHEMBL716893 0.86 MKNK1 (0.48) CHRNB2CHRNA4CYP2A6SMN1; SMN2
SCHEMBL6178200 0.86 MKNK1 (0.48) CHRNB2CHRNA4CYP2A6SMN1; SMN2
SCHEMBL8611268 0.85 CYP2D6 (0.47) CHRNB2CHRNA4CYP2A6SMN1; SMN2
SCHEMBL1638872 0.77 CTSL (0.35) CYP2A6ALDH1A1NISCHMAPK1ALOX15
SCHEMBL25625502 0.76 MAPT (0.48) CHRNB2CHRNA4ALDH1A1SMN1; SMN2KDM1A
SCHEMBL23255523 0.75 POLB (0.47) CYP2A6NISCHSMN1; SMN2
Enefexine SCHEMBL499360 0.73 SLC18A3 (0.55) KDM1AEP300
SCHEMBL4321926 0.73 SPHK1 (0.50) TP53
Enefexine SCHEMBL4886231 0.72 SLC18A3 (0.53) KDM1A
SCHEMBL14881196 0.71 MAPT (0.48) CHRNB2CHRNA4CYP2A6ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708346-B2 Treatment and prevention of neuropathic pain with P2Y14 antagonists SAINT LOUIS UNIVERSITY (US) 2023-07-25 US disclosed
US-20210024489-A1 TREATMENT AND PREVENTION OF NEUROPATHIC PAIN WITH P2Y14 ANTAGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-01-28 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-11708346-B2 Treatment and prevention of neuropathic pain with P2Y14 antagonists P2RY14, P2RY4, P2RY13 CHRNB2 34/4885CHRNA4 27/4885CYP2A6 4055/4885
US-20210024489-A1 TREATMENT AND PREVENTION OF NEUROPATHIC PAIN WITH P2Y14 ANTAGONISTS P2RY14, P2RY4, P2RY13 CHRNB2 34/4885CHRNA4 27/4885CYP2A6 4055/4885

“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.