SCHEMBL4581898

SCHEMBL4581898

Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](N)c1cccc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.56
KCNH2 Q12809 2/20 0.53
CYP3A4 P08684 1/20 0.53
ADRA2A P08913 1/20 0.53
CYP2C9 P11712 1/20 0.53
KCNE1 P15382 1/20 0.53
OPRM1 P35372 1/20 0.53
KCNQ1 P51787 1/20 0.53
SLC47A1 Q96FL8 1/20 0.53

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
SCHEMBL3873705 0.88 CCR5 (0.60) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL4939107 0.88 CCR5 (0.60) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL13915693 0.88 CCR5 (0.60) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL16276177 0.84 CCR5 (0.54) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL3874242 0.84 CCR5 (0.71) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL16276172 0.83 CCR5 (0.62) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL15112285 0.83 CCR5 (0.62) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL14168708 0.81 CCR5 (0.53) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL5078754 0.81 CCR5 (0.54) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL3874882 0.81 CCR5 (0.47) CCR5KCNH2CYP3A4ADRA2ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1990341-B1 Triazolyl tropane derivatives as CCR5 modulators PFIZER (US) 2013-01-23 EP disclosed
US-7576097-B2 Tropane derivatives useful in therapy PFIZER, INC. (US) 2009-08-18 US disclosed
US-7576097-B2 Tropane derivatives useful in therapy PFIZER, INC. (US) 2009-08-18 US 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-20080132537-A1 TROPANE DERIVATIVES USEFUL IN THERAPY PFIZER INC 2008-06-05 US disclosed
US-20080132537-A1 TROPANE DERIVATIVES USEFUL IN THERAPY PFIZER INC 2008-06-05 US disclosed
US-7368460-B2 Tropane derivatives useful in therapy PFIZER, INC. (US) 2008-05-06 US disclosed
US-7368460-B2 Tropane derivatives useful in therapy PFIZER, INC. (US) 2008-05-06 US 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-20020013337-A1 Tropane derivatives useful in therapy PHIVCO-1 LLC 2002-01-31 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 (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 CCR5 385/4885KCNH2 1032/4885CYP3A4 246/4885
US-20040067977-A1 Tropane derivatives useful in therapy ADRB3, ADRA1A, ADRB2 CCR5 385/4885KCNH2 1032/4885CYP3A4 246/4885
US-20080132537-A1 TROPANE DERIVATIVES USEFUL IN THERAPY ADRB3, ADRB2, ADRA2C CCR5 407/4885KCNH2 1335/4885CYP3A4 197/4885

“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.