SCHEMBL22746435

SCHEMBL22746435

CCCCCCCCNC(CC)C(=O)Nc1c(C)cccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.41
NAAA Q02083 2/20 0.41
ATM Q13315 2/20 0.41
HSP90AA1 P07900 1/20 0.41
SCN3A Q9NY46 3/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
SCN1A P35498 2/20 0.40
SCN2A Q99250 2/20 0.40
LMNA P02545 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40

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
SCHEMBL28957057 0.89 SCN3A (0.50) ANPEPATMHSP90AA1SCN3AMAPT
SCHEMBL22746268 0.85 SCN1A (0.57) ANPEPNAAAATMHSP90AA1SCN3A
SCHEMBL22746450 0.83 ANPEP (0.50) ANPEPATMHSP90AA1SCN3AMAPT
SCHEMBL1934232 0.76 ANPEP (0.46) ANPEPATMHSP90AA1SCN3AMAPT
SCHEMBL18487507 0.74 ATM (0.48) ANPEPATMHSP90AA1SCN3AMAPT
SCHEMBL23317664 0.74 ATM (0.42) ANPEPATMHSP90AA1SCN3AMAPT
SCHEMBL22781595 0.74 PYGL (0.36) ANPEPATMHSP90AA1SCN3AMAPT
SCHEMBL28739212 0.73 TSHR (0.53) ATMHSP90AA1SCN3AMAPTALDH1A1
SCHEMBL23835699 0.73 SCN3A (0.71) ANPEPATMHSP90AA1SCN3AMAPT
SCHEMBL24398548 0.73 ANPEP (0.46) ANPEPATMHSP90AA1SCN3AMAPT

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-20230165812-A1 NOCICEPTOR NEURONS CONTROL CANCER IMMUNOSURVEILLANCE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-06-01 US disclosed
US-20200377459-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-12-03 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-20200377459-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE TRPV1, TRPV2, TRPA1 ANPEP 1482/4885NAAA 371/4885ATM 4664/4885
US-20230165812-A1 NOCICEPTOR NEURONS CONTROL CANCER IMMUNOSURVEILLANCE OPRL1, MRGPRX1, RAMP1 ANPEP 783/4885NAAA 2316/4885ATM 4244/4885

“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.