SCHEMBL6288510

SCHEMBL6288510

Nc1ccc(C#CCOC2CCCCO2)cn1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.43
KDM4C Q9H3R0 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GCK P35557 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
RORC P51449 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PIK3CA P42336 10/20 0.36
MTOR P42345 10/20 0.36
DHFR P00374 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL22252667 0.78 GRM5 (0.42) GRM5KDM4CMEN1KMT2AGCK
SCHEMBL21058120 0.78 GRM5 (0.42) GRM5KDM4CMEN1KMT2AGCK
SCHEMBL9763296 0.78 GRM5 (0.42) GRM5KDM4CMEN1KMT2AGCK
SCHEMBL5990774 0.77 GRM5 (0.44) GRM5KDM4CMEN1KMT2AGCK
SCHEMBL31558454 0.75 GRM5 (0.44) GRM5KDM4CMEN1KMT2AGCK
SCHEMBL23729876 0.74 GRM5 (0.43) GRM5KDM4CMEN1KMT2AGCK
SCHEMBL23704078 0.74 GRM5 (0.43) GRM5KDM4CMEN1KMT2AGCK
SCHEMBL31607849 0.73 KDM4C (0.53) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL26641352 0.73 KDM4C (0.53) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL31419836 0.73 HTR2A (0.45) GRM5KDM4CMEN1KMT2AGCK

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-6903097-B2 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY (US) 2005-06-07 US disclosed
US-20040142928-A1 Heterocycle carboxamides as antiviral agents BUNDY GORDON L (US) 2004-07-22 US disclosed
US-20030207880-A1 Heterocycle carboxamides as antiviral agents BUNDY GORDON L (US) 2003-11-06 US disclosed
US-6559145-B2 Herpes virus PHARMACIA & UPJOHN COMPANY 2003-05-06 US disclosed
EP-1301493-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-04-16 EP disclosed
US-20020025960-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-28 US disclosed
WO-2002004444-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 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 (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-20040142928-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 GRM5 2975/4885KDM4C 355/4885MEN1 2250/4885
US-20020025960-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 GRM5 2975/4885KDM4C 355/4885MEN1 2250/4885
US-20030207880-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 GRM5 2975/4885KDM4C 355/4885MEN1 2250/4885

“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.