SCHEMBL4024334

SCHEMBL4024334

N#C[C@]1(c2cccc(Cl)c2)C[C@@H]1CCOCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.37
HTR2C P28335 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2B P41595 1/20 0.36
TACR1 P25103 4/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSK P43235 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
CHRM3 P20309 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL13720352 0.88 TSHR (0.38) TACR1CTSLCTSBCTSKTAAR1
SCHEMBL4019223 0.78 HTR2C (0.41) GRM5HTR2CHTR2AHTR2BTACR1
SCHEMBL6184368 0.78 CTSL (0.44) TACR1CTSLCTSBCTSKTAAR1
SCHEMBL6173682 0.78 CTSL (0.44) TACR1CTSLCTSBCTSKTAAR1
SCHEMBL4021471 0.78 CTSL (0.44) TACR1CTSLCTSBCTSKTAAR1
SCHEMBL4021721 0.78 CTSL (0.44) TACR1CTSLCTSBCTSKTAAR1
SCHEMBL4023967 0.78 CTSL (0.44) TACR1CTSLCTSBCTSKTAAR1
SCHEMBL29302947 0.69 HSD11B1 (0.42) HTR2CHTR2AHTR2B
SCHEMBL29879558 0.69 HSD11B1 (0.42) HTR2CHTR2AHTR2B
SCHEMBL6184557 0.69 GRM5 (0.37) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569579-B2 for inhibition of HIV replication and treatment of acquired immune deficiency syndrome SMITHKLINE BEECHAM CORPORATION (US) 2009-08-04 US disclosed
US-7569579-B2 for inhibition of HIV replication and treatment of acquired immune deficiency syndrome SMITHKLINE BEECHAM CORPORATION (US) 2009-08-04 US disclosed
US-7569579-B2 for inhibition of HIV replication and treatment of acquired immune deficiency syndrome SMITHKLINE BEECHAM CORPORATION (US) 2009-08-04 US disclosed
EP-1569934-B1 CYCLOPROPYL COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2008-01-23 EP disclosed
US-20060052408-A1 Cyclopropyl compounds as ccr5 antagonists SMITHKLINE BEECHAM CORPORATION 2006-03-09 US disclosed
EP-1569934-A2 CYCLOPROPYL COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 EP disclosed
WO-2004055010-A2 CYCLOPROPYL COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 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 (1 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-20060052408-A1 Cyclopropyl compounds as ccr5 antagonists CCR5, CCR1, CCL5 GRM5 494/4885HTR2C 1655/4885HTR2A 1635/4885

“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.