SCHEMBL168288

SCHEMBL168288

NC12CCCC(CC1)N2Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
OPRK1 P41145 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
ACHE P22303 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL7808275 0.97 SIGMAR1 (0.40) SIGMAR1ALDH1A1MAOAMAOBOPRK1
SCHEMBL3250253 0.77 OPRK1 (0.51) SIGMAR1ALDH1A1OPRK1
SCHEMBL3247032 0.77 OPRK1 (0.51) SIGMAR1ALDH1A1OPRK1
SCHEMBL3252831 0.77 OPRK1 (0.54) SIGMAR1ALDH1A1OPRK1CHRM2CHRM4
SCHEMBL3252835 0.77 OPRK1 (0.54) SIGMAR1ALDH1A1OPRK1CHRM2CHRM4
SCHEMBL12881261 0.73 DPP4 (0.41) SIGMAR1ALDH1A1OPRK1DRD2DRD4
SCHEMBL7456872 0.71 LMNA (0.42) SIGMAR1ALDH1A1OPRK1ACHE
SCHEMBL771596 0.70 CYP3A4 (0.41) SIGMAR1ALDH1A1OPRK1DRD2DRD4
SCHEMBL632289 0.70 SLC6A9 (0.38) OPRK1DRD2DRD4DRD3
SCHEMBL11122549 0.69 CHRM2 (0.41) OPRK1CHRM2CHRM4ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779143-B2 Crystalline forms of maraviroc phosphate and process for maraviroc amorphous form HETERO RESEARCH FOUNDATION (IN) 2014-07-15 US disclosed
US-20130211091-A1 CRYSTALLINE FORMS OF MARAVIROC PHOSPHATE AND PROCESS FOR MARAVIROC AMORPHOUS FORM HETERO RESEARCH FOUNDATION (IN) 2013-08-15 US disclosed
EP-2611446-A1 CRYSTALLINE FORMS OF MARAVIROC PHOSPHATE AND PROCESS FOR MARAVIROC AMORPHOUS FORM Hetero Research Foundation (IN) 2013-07-10 EP disclosed
EP-1990341-B1 Triazolyl tropane derivatives as CCR5 modulators PFIZER (US) 2013-01-23 EP disclosed
WO-2012029067-A1 CRYSTALLINE FORMS OF MARAVIROC PHOSPHATE AND PROCESS FOR MARAVIROC AMORPHOUS FORM HETERO RESEARCH FOUNDATION (IN) 2012-03-08 WO disclosed
EP-1990341-A1 Triazolyl tropane derivatives as CCR5 modulators Pfizer Inc. (US) 2008-11-12 EP disclosed
EP-1526134-B1 TRIAZOLYL TROPANE DERIVATIVES AS CCR5 MODULATORS PFIZER LTD (GB) 2008-09-03 EP disclosed
US-7368460-B2 Tropane derivatives useful in therapy PFIZER, INC. (US) 2008-05-06 US disclosed
US-20040067977-A1 Tropane derivatives useful in therapy PFIZER, INC. 2004-04-08 US disclosed
EP-1284974-B1 TRIAZOLYL TROPANE DERIVATIVES AS CCR5 MODULATORS PFIZER LTD (GB) 2004-03-03 EP disclosed
US-6667314-B2 For therapy of respiratory disorder including adult respiratory distress syndrome (ARDS), bronchitis, chronic bronchitis, chronic obstructive pulmonary disease, cystic fibrosis, asthma, emphysema, rhinitis or chronic sinusitis PFIZER, INC. 2003-12-23 US disclosed
US-6586430-B1 Administering azabicyclo compounds to treat human immunodeficiency virus infections and respiratory system disorders PFIZER INC. 2003-07-01 US disclosed
US-20020013337-A1 Tropane derivatives useful in therapy PHIVCO-1 LLC 2002-01-31 US disclosed
US-4459300-A ANTIEMETICS, GASTROINTESTINAL DISORDERS, CENTRAL NERVOUS SYSTEM, PSYCHOLOGICAL DISORDERS BEECHAM GROUP P.L.C. (GB) 1984-07-10 US disclosed
EP-0102195-A2 Substituted aza bicycloalkyl derivatives with dopamine antagonist activity BEECHAM GROUP PLC (GB) 1984-03-07 EP disclosed
EP-0069482-A1 Azabicycloalkyl benzamides, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1983-01-12 EP 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 (3 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-20020013337-A1 Tropane derivatives useful in therapy ADRB3, ADRA1A, ADRB2 SIGMAR1 83/4885ALDH1A1 454/4885MAOA 29/4885
US-20040067977-A1 Tropane derivatives useful in therapy ADRB3, ADRA1A, ADRB2 SIGMAR1 83/4885ALDH1A1 454/4885MAOA 29/4885
US-20130211091-A1 CRYSTALLINE FORMS OF MARAVIROC PHOSPHATE AND PROCESS FOR MARAVIROC AMORPHOUS FORM PNP, TYMP, SAMHD1 SIGMAR1 2297/4885ALDH1A1 4072/4885MAOA 1088/4885

“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.