SCHEMBL25197751

SCHEMBL25197751

c1cc(OCC2COC2)ncc1N1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.53
CHRNA4 P43681 6/20 0.53
LRRK2 Q5S007 1/20 0.43
MELK Q14680 1/20 0.38
ADRB1 P08588 3/20 0.37
HTR3E A5X5Y0 2/20 0.37
HTR3B O95264 2/20 0.37
HTR3A P46098 2/20 0.37
HTR3D Q70Z44 2/20 0.37
HTR3C Q8WXA8 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
ADRB2 P07550 1/20 0.36
NCF1 P14598 1/20 0.36
PLD1 Q13393 1/20 0.36
ACACB O00763 1/20 0.36

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
SCHEMBL25193011 0.90 CHRNB2 (0.49) CHRNB2CHRNA4LRRK2MELKCDK4
SCHEMBL25416857 0.88 CHRNB2 (0.50) CHRNB2CHRNA4LRRK2MELKCDK4
SCHEMBL3092882 0.88 CHRNB2 (0.57) CHRNB2CHRNA4LRRK2HRH4ACACB
SCHEMBL25187224 0.75 GPR119 (0.60)
SCHEMBL20000567 0.75 CHRNB2 (0.47) CHRNB2CHRNA4LRRK2ACACB
SCHEMBL3102728 0.74 CHRNB2 (0.51) CHRNB2CHRNA4SIGMAR1
SCHEMBL11978475 0.74 GPR119 (0.52) CHRNB2CHRNA4LRRK2ACACB
SCHEMBL2617751 0.74 CHRNB2 (0.88) CHRNB2CHRNA4ADRB1HTR3EHTR3B
SCHEMBL31401416 0.74 CHRNB2 (0.88) CHRNB2CHRNA4ADRB1HTR3EHTR3B
SCHEMBL3104417 0.74 CHRNB2 (0.60) CHRNB2CHRNA4ADRB1HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250289800-A1 Selective Parp1 Inhibitor And Application Thereof KANGBAIDA (SICHUAN) BIOTECHNOLOGY CO., LTD. (CN) 2025-09-18 US disclosed
EP-4434985-A1 SELECTIVE PARP1 INHIBITOR AND APPLICATION THEREOF Kangbaida (Sichuan) Biotechnology Co., Ltd. (CN) 2024-09-25 EP disclosed
CN-118055933-A Selective PARP1 inhibitors and uses thereof 成都百裕制药股份有限公司 2024-05-17 CN disclosed
WO-2023088408-A1 SELECTIVE PARP1 INHIBITOR AND APPLICATION THEREOF 成都百裕制药股份有限公司 2023-05-25 WO disclosed
WO-2023088408-A1 SELECTIVE PARP1 INHIBITOR AND APPLICATION THEREOF 成都百裕制药股份有限公司 2023-05-25 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-20250289800-A1 Selective Parp1 Inhibitor And Application Thereof PARP1, PARP11, PARP12 CHRNB2 4203/4885CHRNA4 4321/4885LRRK2 613/4885

“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.