SCHEMBL3758301

SCHEMBL3758301

CCC[C@@H]1CN(c2ccccc2)C(=O)N1C1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.40
KHK P50053 8/20 0.39
HTR6 P50406 1/20 0.39
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NSD3 Q9BZ95 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 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
SCHEMBL3758308 1.00 GRM2 (0.40) GRM2KHKHTR6USP2ALDH1A1
SCHEMBL8574854 0.84 TSHR (0.37) KHKHTR6ALDH1A1TSHR
Hydrochloric Acid SCHEMBL8413871 0.81 GAA (0.40) KHKALDH1A1TSHRMEN1KMT2A
SCHEMBL3760567 0.74 ACHE (0.38) HSD17B10
SCHEMBL4608571 0.69 FADS1 (0.40) HTR6NSD3MEN1NPC1RAB9A
SCHEMBL4608568 0.69 FADS1 (0.40) HTR6NSD3MEN1NPC1RAB9A
SCHEMBL4597271 0.69 DRD2 (0.45) HTR6MEN1KMT2A
SCHEMBL8417143 0.68 MAPT (0.36) ALDH1A1MEN1NPC1KMT2A
Hydrochloric Acid SCHEMBL8876143 0.67 MAPT (0.38) ALDH1A1MEN1NPC1KMT2A
SCHEMBL11217206 0.67 KHK (0.62) KHKMEN1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 GRM2 1044/4885KHK 4218/4885HTR6 2051/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 GRM2 1044/4885KHK 4218/4885HTR6 2051/4885

“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.