SCHEMBL25376115

SCHEMBL25376115

CNCc1ccc(N2CCNCC2)cn1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.54
CHRNA4 P43681 9/20 0.54
AOC3 Q16853 1/20 0.50
ADRB1 P08588 4/20 0.45
CDK4 P11802 2/20 0.43
CCND1 P24385 2/20 0.43
HTR3E A5X5Y0 2/20 0.41
HTR3B O95264 2/20 0.41
HTR3A P46098 2/20 0.41
HTR3D Q70Z44 2/20 0.41
HTR3C Q8WXA8 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
ADRB2 P07550 1/20 0.41
NCF1 P14598 1/20 0.41
PLD1 Q13393 1/20 0.41
HRH4 Q9H3N8 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
SCHEMBL12147196 0.83 CHRNB2 (0.58) CHRNB2CHRNA4AOC3ADRB1HTR3E
SCHEMBL22876928 0.80 CHRNB2 (0.57) CHRNB2CHRNA4AOC3ADRB1HTR3E
SCHEMBL4024508 0.80 CHRNB2 (0.58) CHRNB2CHRNA4AOC3ADRB1CDK4
SCHEMBL14341117 0.79 CHRNB2 (0.54) CHRNB2CHRNA4AOC3ADRB1CDK4
SCHEMBL20038429 0.76 CHRNB2 (0.58) CHRNB2CHRNA4ADRB1CDK4CCND1
SCHEMBL16838133 0.76 NCF1 (0.59) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL24468574 0.75 L3MBTL1 (0.53) AOC3
SCHEMBL3917325 0.74 CHRNB2 (0.64) CHRNB2CHRNA4ADRB1HTR3EHTR3B
SCHEMBL4323521 0.71 AOC3 (0.54) CHRNB2CHRNA4AOC3CDK4CCND1
SCHEMBL22912811 0.71 HDAC2 (0.55) CHRNB2CHRNA4

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-20260098024-A1 PARP1 INHIBITORS AND USES THEREOF XINTHERA INC (US) 2026-04-09 US disclosed
EP-4469449-A1 PARP1 INHIBITORS AND USES THEREOF Xinthera, Inc. (US) 2024-12-04 EP disclosed
CN-118510767-A PARP1 inhibitors and uses thereof 新特拉有限公司 2024-08-16 CN disclosed
WO-2023146957-A1 PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. (US) 2023-08-03 WO 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-20260098024-A1 PARP1 INHIBITORS AND USES THEREOF PARP1, PARP11, PARP16 CHRNB2 2501/4885CHRNA4 1812/4885AOC3 2604/4885

“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.