SCHEMBL4404801

SCHEMBL4404801

C1=CCC(OC(CCN2CCCC2)(c2ccccc2)C2CCCCC2)C=C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 7/20 0.51
CHRM1 P11229 7/20 0.51
CYP2D6 P10635 7/20 0.51
CHRM3 P20309 6/20 0.51
KCNH2 Q12809 5/20 0.51
CHRM4 P08173 5/20 0.51
CHRM5 P08912 4/20 0.51
HTR1A P08908 3/20 0.51
OPRM1 P35372 3/20 0.51
SIGMAR1 Q99720 2/20 0.51
HRH1 P35367 2/20 0.51
CYP3A4 P08684 2/20 0.51
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
GRIN1 Q05586 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
GRIN2C Q14957 1/20 0.51
GRIN3A Q8TCU5 1/20 0.51
TSHR P16473 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
SCHEMBL18934406 0.88 CYP2D6 (0.50) CHRM2CHRM1CYP2D6CHRM3KCNH2
SCHEMBL1725271 0.79 CYP2D6 (0.63) CHRM2CHRM1CYP2D6CHRM3KCNH2
SCHEMBL18934407 0.74 CYP2D6 (0.49) CHRM2CHRM1CYP2D6CHRM3KCNH2
Trihexyphenidyl SCHEMBL34645 0.68 CHRM2 (1.00) CHRM2CHRM1CYP2D6CHRM3KCNH2
Trihexyphenidyl SCHEMBL1320615 0.68 CHRM2 (1.00) CHRM2CHRM1CYP2D6CHRM3KCNH2
Trihexyphenidyl SCHEMBL34646 0.68 CHRM2 (1.00) CHRM2CHRM1CYP2D6CHRM3KCNH2
Procyclidine SCHEMBL147344 0.68 CHRM2 (1.00) CHRM2CHRM1CYP2D6CHRM3KCNH2
(S)-Procyclidine SCHEMBL519431 0.68 CHRM2 (1.00) CHRM2CHRM1CYP2D6CHRM3KCNH2
Cycrimine SCHEMBL249004 0.68 CHRM2 (1.00) CHRM2CHRM1CYP2D6CHRM3KCNH2
(R)-Procyclidine SCHEMBL15305878 0.68 CHRM2 (1.00) CHRM2CHRM1CYP2D6CHRM3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170157168-A1 PREVENTION OF GASTRIC ULCER BY CARBON MONOXIDE ALFAMA-INVESTIGAÇÃO E DESENVOLVIMENTO DE PRODUTOS FARMACÊUTICOS LDA (PT) 2017-06-08 US disclosed
US-9023402-B2 Method for treating a mammal by administration of a compound having the ability to release CO ALFAMA—Investigação e Desenvolvimento de Produtos Farmacêuticos, Lda. (PT) 2015-05-05 US disclosed
US-20140212514-A1 PREVENTION OF GASTRIC ULCER BY CARBON MONOXIDE ALFAMA - INVESTIGACAO E DESENVOLVIMENTO DE PRODUTOS FARMACEUTICOS, LDA. (PT) 2014-07-31 US disclosed
EP-2182961-B1 PREVENTION OF GASTRIC ULCERY BY CARBON MONOXIDE ALFAMA INVESTIGACAO E DESENVOLVIMENTO DE PRODUCTOS FARMACEUTICOS LDA (PT) 2012-05-02 EP disclosed
US-20110237546-A1 METHOD FOR TREATING A MAMMAL BY ADMINISTRATION OF A COMPOUND HAVING THE ABILITY TO RELEASE CO ALFAMA - INVESTIGACAO E DESENVOLVIMENTO DE PRODUTOS FARMACEUTICOS LDA (PT) 2011-09-29 US disclosed
US-7964220-B2 Method for treating a mammal by administration of a compound having the ability to release CO ALFAMA—Investigação e Desenvolvimento de Produtos Farmacêuticos, Lda. (PT) 2011-06-21 US disclosed
US-7964220-B2 Method for treating a mammal by administration of a compound having the ability to release CO ALFAMA—Investigação e Desenvolvimento de Produtos Farmacêuticos, Lda. (PT) 2011-06-21 US disclosed
US-20110038955-A1 PREVENTION OF GASTRIC ULCER BY CARBON MONOXIDE ALFAMA - INVESTIGACAO E DESENVOLVIMENTO DE PRODUTOS FARMACEUTICOS, LDA. (PT) 2011-02-17 US disclosed
US-20100196516-A1 TREATMENT OF INFECTIONS BY CARBON MONOXIDE ALFAMA-Investigacao e Desenvolvimento de produtos Farmaceuticos, Lda (PT) 2010-08-05 US disclosed
US-20100196516-A1 TREATMENT OF INFECTIONS BY CARBON MONOXIDE ALFAMA-Investigacao e Desenvolvimento de produtos Farmaceuticos, Lda (PT) 2010-08-05 US disclosed
EP-2042181-A1 Use of co-releasing compounds for the manufacture of a medicament for the treatment of inflammatory diseases ALFAMA-Investigacao e Desenvolvimento de Produtos Farmaceuticos Lda. (PT) 2009-04-01 EP disclosed
WO-2009013612-A1 PREVENTION OF GASTRIC ULCERY BY CARBON MONOXIDE ALFAMA - INVESTIGAÇÃO E DESENVOLVIMENTO DE PRODUTOS FARMACÊUTICOS, LDA. (PT) 2009-01-29 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 (5 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-20110038955-A1 PREVENTION OF GASTRIC ULCER BY CARBON MONOXIDE PTGS1, PTGS2, NOS2 CHRM2 2171/4885CHRM1 1339/4885CYP2D6 439/4885
US-20110237546-A1 METHOD FOR TREATING A MAMMAL BY ADMINISTRATION OF A COMPOUND HAVING THE ABILITY TO RELEASE CO PTGS1, PTGES, TNF CHRM2 139/4885CHRM1 122/4885CYP2D6 1534/4885
US-20170157168-A1 PREVENTION OF GASTRIC ULCER BY CARBON MONOXIDE PTGS1, PTGS2, NOS2 CHRM2 2171/4885CHRM1 1339/4885CYP2D6 439/4885
US-20100196516-A1 TREATMENT OF INFECTIONS BY CARBON MONOXIDE MB, IFNG, CORO1C CHRM2 513/4885CHRM1 539/4885CYP2D6 701/4885
US-20140212514-A1 PREVENTION OF GASTRIC ULCER BY CARBON MONOXIDE PTGS1, PTGS2, NOS2 CHRM2 2171/4885CHRM1 1339/4885CYP2D6 439/4885

“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.