SCHEMBL29615733

SCHEMBL29615733

c1cncc(OC[C@@H]2CCN2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 1.00
CHRNA4 P43681 6/20 1.00
CHRNA3 P32297 5/20 1.00
CHRNB4 P30926 4/20 1.00
CHRNA7 P36544 3/20 1.00
CHRNA1 P02708 1/20 1.00
CHRNG P07510 1/20 1.00
CHRNB1 P11230 1/20 1.00
CHRND Q07001 1/20 1.00
CYP2D6 P10635 2/20 0.59
CYP3A4 P08684 1/20 0.59

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
SCHEMBL905208 1.00 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL401138 1.00 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL676026 1.00 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
Hydrochloric Acid SCHEMBL31375263 0.98 CHRNB2 (0.97) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
Hydrochloric Acid SCHEMBL7836790 0.98 CHRNB2 (0.97) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
Hydrochloric Acid SCHEMBL3217337 0.98 CHRNB2 (0.97) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
Hydrochloric Acid SCHEMBL7480026 0.98 CHRNB2 (0.97) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
Hydrochloric Acid SCHEMBL7464746 0.98 CHRNB2 (0.97) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL905236 0.89 CHRNA3 (0.81) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL905201 0.89 CHRNA3 (0.81) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250221968-A1 TREATMENTS AND METHODS FOR INCREASING DOPAMINE UNIV OXFORD INNOVATION LTD (GB) 2025-07-10 US claimed
EP-4493171-A1 NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONIST/BLOCKER FOR USE IN INCREASING DOPAMINE Zhang, Yanfeng C/o Oxford University Innovation Limited (GB) 2025-01-22 EP claimed
WO-2023175357-A1 NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONIST/BLOCKER FOR USE IN INCREASING DOPAMINE OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2023-09-21 WO claimed
US-20220117989-A1 COMPOSITIONS AND METHODS FOR INDUCING OR SUPPLEMENTING SOCS3 TO ABROGATE TUMOR GROWTH AND PROLIFERATIVE RETINOPATHY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-04-21 US claimed
US-20260036593-A1 DEFECTIVE CALCIUM SIGNALING AS A TOOL IN AUTISM SPECTRUM DISORDERS UNIV CALIFORNIA (US) 2026-02-05 US disclosed
US-20250221968-A1 TREATMENTS AND METHODS FOR INCREASING DOPAMINE UNIV OXFORD INNOVATION LTD (GB) 2025-07-10 US disclosed
EP-4493171-A1 NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONIST/BLOCKER FOR USE IN INCREASING DOPAMINE Zhang, Yanfeng C/o Oxford University Innovation Limited (GB) 2025-01-22 EP disclosed
CN-119212689-A Nicotinic acetylcholine receptor antagonists/blockers for increasing dopamine 张燕峰 2024-12-27 CN disclosed
US-20240159774-A1 DEFECTIVE CALCIUM SIGNALING AS A TOOL IN AUTISM SPECTRUM DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-05-16 US disclosed
WO-2023175357-A1 NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONIST/BLOCKER FOR USE IN INCREASING DOPAMINE OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2023-09-21 WO disclosed
US-20220117989-A1 COMPOSITIONS AND METHODS FOR INDUCING OR SUPPLEMENTING SOCS3 TO ABROGATE TUMOR GROWTH AND PROLIFERATIVE RETINOPATHY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-04-21 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 (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-20260036593-A1 DEFECTIVE CALCIUM SIGNALING AS A TOOL IN AUTISM SPECTRUM DISORDERS CASR, ORAI1, TRPC3 CHRNB2 289/4885CHRNA4 459/4885CHRNA3 319/4885
US-20220117989-A1 COMPOSITIONS AND METHODS FOR INDUCING OR SUPPLEMENTING SOCS3 TO ABROGATE TUMOR GROWTH AND PROLIFERATIVE RETINOPATHY EYA3, RB1, ALDH1A2 CHRNB2 63/4885CHRNA4 353/4885CHRNA3 161/4885

“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.