SCHEMBL18013231

SCHEMBL18013231

Clc1cc(Br)ccc1C1CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
KDM1A O60341 4/20 0.36
KDM1B Q8NB78 1/20 0.36
OPRL1 P41146 5/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGDR Q13258 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
AGTR1 P30556 1/20 0.33
GRIA1 P42261 1/20 0.33
CACNG8 Q8WXS5 1/20 0.33

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
SCHEMBL26930333 0.87 SLC6A4 (0.42)
SCHEMBL31342573 0.83 OPRL1 (0.38) HTTOPRL1PTGDRPTGDR2
SCHEMBL18769998 0.83 OPRL1 (0.38) HTTOPRL1PTGDRPTGDR2
SCHEMBL23623175 0.82 CHRNB2 (0.47)
Hydrochloric Acid SCHEMBL29988356 0.80 CHRNB2 (0.46)
Hydrochloric Acid SCHEMBL23612279 0.80 CHRNB2 (0.46)
SCHEMBL4389842 0.80 HTR3A (0.46)
SCHEMBL16905177 0.79 PTGDR (0.40) KDM1AKDM1BKDM4EKMT2APTGDR
SCHEMBL23291443 0.79 GRM5 (0.42) HTTOPRL1SMN1; SMN2PTGDRPTGDR2
SCHEMBL8289625 0.78 CHRNB2 (0.41) OPRL1NPC1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4309741-A1 CYCLIC COMPOUND HAVING INHIBITORY EFFECT SELECTIVE FOR KRAS BUT NOT FOR HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-01-24 EP disclosed
WO-2023214576-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS 中外製薬株式会社 2023-11-09 WO disclosed
EP-4267117-A1 CARBOXYLIC ACID CONTAINING INDANYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CELGENE CORPORATION (US) 2023-11-01 EP disclosed
WO-2022234853-A1 CYCLIC COMPOUND HAVING INHIBITORY EFFECT SELECTIVE FOR KRAS BUT NOT FOR HRAS AND NRAS 中外製薬株式会社 2022-11-10 WO disclosed
WO-2022140555-A1 CARBOXYLIC ACID CONTAINING INDANYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CELGENE CORPORATION (US) 2022-06-30 WO disclosed
WO-2022140555-A1 CARBOXYLIC ACID CONTAINING INDANYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CELGENE CORPORATION (US) 2022-06-30 WO disclosed
EP-3365061-A1 AMINOISOXAZOLINE COMPOUNDS AS AGONISTS OF ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTORS Axovant Sciences GmbH (DE) 2018-08-29 EP disclosed
US-20170247393-A1 Aminoisoxazoline Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors FORUM PHARMACEUTICALS, INC. 2017-08-31 US disclosed
US-20170247393-A1 Aminoisoxazoline Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors FORUM PHARMACEUTICALS, INC. 2017-08-31 US disclosed
US-20170247393-A1 Aminoisoxazoline Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors FORUM PHARMACEUTICALS, INC. 2017-08-31 US disclosed
WO-2017069980-A1 AMINOISOXAZOLINE COMPOUNDS AS AGONISTS OF ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2017-04-27 WO disclosed
WO-2017069980-A1 AMINOISOXAZOLINE COMPOUNDS AS AGONISTS OF ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2017-04-27 WO disclosed
WO-2016124139-A1 HETEROCYCLIC-SUBSTITUTED N-SULFONYLBENZAMIDE DERIVATIVES, PREPARATION METHOD FOR DERIVATIVES, AND PHARMACEUTICAL USE OF DERIVATIVES 上海海雁医药科技有限公司 2016-08-11 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-20170247393-A1 Aminoisoxazoline Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors CHRNA7, CHRNA5, CHRNA2 HTT 2692/4885KDM1A 1781/4885KDM1B 2060/4885

“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.