SCHEMBL2485757

SCHEMBL2485757

c1cnc2c(OCC3CC3)cccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.58
RAB9A P51151 5/20 0.54
MAPT P10636 4/20 0.54
NPC1 O15118 4/20 0.53
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SSTR5 P35346 1/20 0.51
KCNH2 Q12809 1/20 0.51
KDM4E B2RXH2 3/20 0.50
GAA P10253 1/20 0.50
PDE5A O76074 1/20 0.49
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
Hydrochloric Acid SCHEMBL9052784 0.98 MCHR1 (0.57) MCHR1RAB9AMAPTNPC1LMNA
SCHEMBL2483278 0.92 MCHR1 (0.68) MCHR1RAB9AMAPTNPC1LMNA
SCHEMBL15603473 0.90 MCHR1 (0.60) MCHR1RAB9AMAPTNPC1LMNA
SCHEMBL15603446 0.84 RAB9A (0.49) MCHR1RAB9AMAPTNPC1LMNA
SCHEMBL13738023 0.81 MCHR1 (0.63) MCHR1MAPTLMNAMEN1KMT2A
SCHEMBL9192621 0.81 ALDH1A1 (0.53) RAB9AMAPTNPC1LMNASMN1; SMN2
SCHEMBL28195001 0.80 MCHR1 (0.66) MCHR1
SCHEMBL5188743 0.80 RAB9A (0.50) RAB9AMAPTNPC1LMNASMN1; SMN2
SCHEMBL16132600 0.77 MCHR1 (0.59) MCHR1LMNAKDM4E
SCHEMBL10368023 0.77 RAB9A (0.48) RAB9AMAPTNPC1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064756-A1 Use of Alcohol-Oxyalkylates in the Form of Adjuvants for Benzamidoxime Fungicidal Derivatives, Appropriate Agents and Kits BASF AKTIENGESELLSCHAFT (DE) 2008-03-13 US claimed
EP-0445731-B1 Azabicyclo and azacyclo oxime and amine cholinergic agents and pharmaceutically acceptable salts thereof WARNER LAMBERT CO (US) 1996-01-10 EP claimed
US-5482938-A Azabicyclo and azacyclo oxime and amine cholinergic agents and methods of treatment WARNER-LAMBERT COMPANY (US) 1996-01-09 US claimed
CN-103492377-A Triazolopyridine compounds as PIM kinase inhibitors ARRAY BIOPHARMA INC 2014-01-01 CN disclosed
US-8013153-B2 Substituted pyrimidine kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2011-09-06 US disclosed
US-20080064756-A1 Use of Alcohol-Oxyalkylates in the Form of Adjuvants for Benzamidoxime Fungicidal Derivatives, Appropriate Agents and Kits BASF AKTIENGESELLSCHAFT (DE) 2008-03-13 US disclosed
US-20080064756-A1 Use of Alcohol-Oxyalkylates in the Form of Adjuvants for Benzamidoxime Fungicidal Derivatives, Appropriate Agents and Kits BASF AKTIENGESELLSCHAFT (DE) 2008-03-13 US disclosed
US-20070254896-A1 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-01 US disclosed
CN-1268132-A Cis-substituted fluoromethylpyrrolidine derivatives DAIICHI SEIYAKU CO (JP) 2000-09-27 CN disclosed
US-5306718-A Analgesics, cognition activators WARNER-LAMBERT COMPANY (US) 1994-04-26 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-20080064756-A1 Use of Alcohol-Oxyalkylates in the Form of Adjuvants for Benzamidoxime Fungicidal Derivatives, Appropriate Agents and Kits ADH5, AOX1, CYP2E1 MCHR1 3837/4885RAB9A 4617/4885MAPT 4379/4885
US-20070254896-A1 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS DTYMK, TK1, DCK MCHR1 4705/4885RAB9A 2802/4885MAPT 2869/4885

“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.