SCHEMBL2407205

SCHEMBL2407205

N#CCC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.65
ACHE P22303 2/20 0.57
ALDH1A1 P00352 2/20 0.56
CXCR4 P61073 1/20 0.56
SIGMAR1 Q99720 4/20 0.55
HTR2A P28223 2/20 0.55
HTR2C P28335 2/20 0.55
HTR2B P41595 2/20 0.55
DRD2 P14416 2/20 0.53
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
KDM4E B2RXH2 1/20 0.52
GLA P06280 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
BCHE P06276 1/20 0.51

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
SCHEMBL19568119 0.91 CCR3 (0.54) CCR3ACHEALDH1A1CXCR4HRH3
SCHEMBL5968984 0.90 CCR3 (0.57) CCR3ACHEALDH1A1CXCR4SIGMAR1
SCHEMBL5968982 0.90 CCR3 (0.57) CCR3ACHEALDH1A1CXCR4SIGMAR1
Hydrochloric Acid SCHEMBL9136156 0.89 CCR3 (0.55) CCR3ACHEALDH1A1CXCR4HRH3
SCHEMBL8825518 0.84 CCR3 (0.61) CCR3ACHEALDH1A1CXCR4BCHE
SCHEMBL27519610 0.84 CCR3 (0.67) CCR3ACHESIGMAR1HTR2AHTR2C
SCHEMBL26211206 0.81 MAOB (0.46) CCR3ALDH1A1DRD2DRD4DRD3
SCHEMBL8689631 0.81 CYP2D6 (0.57) ACHEALDH1A1KDM4EBCHE
SCHEMBL8825173 0.80 CCR3 (0.56) CCR3ACHEALDH1A1BCHE
SCHEMBL9196357 0.80 CCR3 (0.74) CCR3ALDH1A1KDM4EGLAGAA

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3452464-B1 PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF HOFFMANN LA ROCHE (CH) 2021-12-15 EP disclosed
US-10807970-B2 Tetrahydropyran and thiopyran derivatives having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-10-20 US disclosed
EP-3458450-B1 TETRAHYDROPYRAN DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS SA (ES) 2020-07-01 EP disclosed
US-20190241544-A1 TETRAHYDROPYRAN AND THIOPYRAN DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-08-08 US disclosed
EP-3458450-A1 TETRAHYDROPYRAN AND THIOPYRAN DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-03-27 EP disclosed
CN-108349936-A It is used to treat N- [2- (1- benzyl piepridine -4- bases) ethyl] -4- (pyrazine -2- bases)-piperazine -1- carboxamides derivatives and related compound of neurological disorder as muscarinic receptor 4 (M4) antagonist 纽罗克里生物科学有限公司 2018-07-31 CN disclosed
WO-2017198339-A1 TETRAHYDROPYRAN AND THIOPYRAN DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2017-11-23 WO disclosed
EP-2727916-A1 Neuroprotective multi-target directed drugs Universitat Autònoma de Barcelona (ES) 2014-05-07 EP disclosed
EP-2727916-A1 Neuroprotective multi-target directed drugs Universitat Autònoma de Barcelona (ES) 2014-05-07 EP disclosed
US-8629277-B2 Styrenyl 1,2,4-oxadiazole compounds Piramal Enterprises Limited (IN) 2014-01-14 US disclosed
EP-0398427-A1 Antirhinoviral pyridazinamines JANSSEN PHARMACEUTICA N.V. (BE) 1990-11-22 EP disclosed
EP-0393738-A1 Hydroxyalkylfuranyl derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1990-10-24 EP disclosed
US-4943580-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-24 US disclosed
US-4839374-A TREATING ALLERGIES JANSSEN PHARMACEUTICA, N.V. (BE) 1989-06-13 US disclosed
EP-0282133-A2 1-alkyl substituted benzimidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-09-14 EP disclosed
US-4695575-A ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1987-09-22 US disclosed
EP-0151826-A1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1985-08-21 EP disclosed
EP-0037713-B1 NOVEL 1,3-DIHYDRO-1-((1-PIPERIDINYL)ALKYL)-2H-BENZIMIDAZOL-2-ONE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1984-02-08 EP disclosed
EP-0037713-A1 Novel 1,3-dihydro-1-((1-piperidinyl)alkyl)-2H-benzimidazol-2-one derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1981-10-14 EP disclosed
US-4254127-A ANTIEMETIC, NEUROLIPTIC AND ANTICONGESTIVE AGENT JANSSEN PHARMACEUTICA, N.V. (BE) 1981-03-03 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-20190241544-A1 TETRAHYDROPYRAN AND THIOPYRAN DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRD1, SIGMAR1, OPRK1 CCR3 1569/4885ACHE 81/4885ALDH1A1 2389/4885
US-10807970-B2 Tetrahydropyran and thiopyran derivatives having multimodal activity against pain OPRD1, SIGMAR1, OPRK1 CCR3 1569/4885ACHE 81/4885ALDH1A1 2389/4885

“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.