SCHEMBL23940238

SCHEMBL23940238

CC(C)(C)n1cc(C(=O)NC2CCOCC2)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 15/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
CREBBP Q92793 1/20 0.45
TNKS O95271 1/20 0.45

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
SCHEMBL20181877 0.84 RAB9A (0.59) HTR3ACNR1CNR2TNKS
SCHEMBL23940224 0.76 ALDH1A1 (0.50) SMN1; SMN2
SCHEMBL23940153 0.73 ALDH1A1 (0.50) SMN1; SMN2CNR1CNR2
SCHEMBL23940249 0.73 BRD4 (0.55) CNR1CNR2CREBBP
SCHEMBL23940236 0.73 CREBBP (0.51) SMN1; SMN2CREBBP
SCHEMBL23940243 0.72 ALDH1A1 (0.59) SMN1; SMN2CREBBP
SCHEMBL3924368 0.72 ALDH1A1 (0.53)
SCHEMBL15458754 0.72 SMN1; SMN2 (0.51) SMN1; SMN2CREBBP
SCHEMBL3832654 0.71 P2RX3 (0.41) HTR3ACNR1CNR2
SCHEMBL23940202 0.71 LMNA (0.46) SMN1; SMN2CNR1CNR2CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210323966-A1 IMIDAZOPYRIDAZINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-21 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-20210323966-A1 IMIDAZOPYRIDAZINE COMPOUNDS TYK2, JAK3, JAK1 HTR3A 2012/4885SMN1; SMN2 2940/4885CNR1 2619/4885

“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.