SCHEMBL6733237

SCHEMBL6733237

COC#Cc1ccc(-c2ccc(C#COC)cn2)nc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
GRM5 P41594 7/20 0.39
CYP1A2 P05177 1/20 0.34
CYP2E1 P05181 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL14571166 0.76 MAPT (0.42) CCR1CCR5CCR8HDAC6GRM5
SCHEMBL1306099 0.72 GRM5 (0.40) CCR1CCR5CCR8HDAC6GRM5
SCHEMBL23665556 0.72 CCR1 (0.61) CCR1CCR5CCR8HDAC6GRM5
SCHEMBL18746011 0.71 GRM5 (0.39) CCR1CCR5CCR8HDAC6GRM5
SCHEMBL6733118 0.70 CYP1A1 (0.44) GRM5CYP1A2
SCHEMBL12466705 0.68 GRM5 (0.37) CCR1CCR5CCR8HDAC6GRM5
SCHEMBL22314179 0.68 MAPT (0.38) CCR1CCR5CCR8HDAC6GRM5
SCHEMBL1746443 0.67 APP (0.34)
SCHEMBL12332986 0.67 HDAC8 (0.42) GRM5CYP1A2CYP2C19KDM4EHPGD
SCHEMBL27733 0.66 HDAC8 (0.40) CCR1CCR5CCR8HDAC6GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130081999-A1 Bridged Macrocyclic Module Compositions WHITEFORD JEFFERY A (US) 2013-04-04 US disclosed
US-20130081999-A1 Bridged Macrocyclic Module Compositions WHITEFORD JEFFERY A (US) 2013-04-04 US disclosed
US-8182695-B2 Bridged macrocyclic module compositions WHITEFORD JEFFERY A (US) 2012-05-22 US disclosed
US-8182695-B2 Bridged macrocyclic module compositions WHITEFORD JEFFERY A (US) 2012-05-22 US disclosed
US-20080290034-A1 Bridged macrocyclic module compositions COVALENT PARTNERS LLC 2008-11-27 US disclosed
US-20080290034-A1 Bridged macrocyclic module compositions COVALENT PARTNERS LLC 2008-11-27 US disclosed
US-7368564-B2 Bridged macrocyclic module compositions COVALENT PARTNERS, LLC (US) 2008-05-06 US disclosed
US-7368564-B2 Bridged macrocyclic module compositions COVALENT PARTNERS, LLC (US) 2008-05-06 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-20130081999-A1 Bridged Macrocyclic Module Compositions SBDS, NCL, INTS6 CCR1 1672/4885CCR5 1184/4885CCR8 1985/4885
US-20080290034-A1 Bridged macrocyclic module compositions SBDS, NCL, INTS6 CCR1 1768/4885CCR5 1169/4885CCR8 1974/4885

“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.