SCHEMBL4913258

SCHEMBL4913258

O=C(OCc1ccccc1)N1CCC(NCC2CC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 12/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
CYP2D6 P10635 4/20 0.63
CYP2C9 P11712 4/20 0.63
CYP2C19 P33261 1/20 0.61
CYP3A4 P08684 3/20 0.59
HTT P42858 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TPSAB1 Q15661 1/20 0.54
TPSD1 Q9BZJ3 1/20 0.54
TPSG1 Q9NRR2 1/20 0.54

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
SCHEMBL1495904 0.95 GRIN2B (0.67) GRIN2BSMN1; SMN2NPC1RAB9ACYP2D6
SCHEMBL30228590 0.93 GRIN2B (0.58) GRIN2BSMN1; SMN2NPC1RAB9ACYP2D6
SCHEMBL30492326 0.93 GRIN2B (0.58) GRIN2BSMN1; SMN2NPC1RAB9ACYP2D6
SCHEMBL30492373 0.93 GRIN2B (0.58) GRIN2BSMN1; SMN2NPC1RAB9ACYP2D6
SCHEMBL296939 0.86 SMN1; SMN2 (0.65) GRIN2BSMN1; SMN2NPC1RAB9ACYP2D6
SCHEMBL31210641 0.86 SMN1; SMN2 (0.54) GRIN2BSMN1; SMN2NPC1RAB9ACYP2D6
SCHEMBL19024446 0.85 SMN1; SMN2 (0.54) GRIN2BSMN1; SMN2NPC1RAB9ACYP2D6
SCHEMBL31714072 0.85 GRIN2B (0.56) GRIN2BSMN1; SMN2NPC1RAB9ACYP2D6
Hydrochloric Acid SCHEMBL19024588 0.85 SMN1; SMN2 (0.53) GRIN2BSMN1; SMN2NPC1RAB9ACYP2D6
SCHEMBL1972315 0.85 SMN1; SMN2 (0.64) GRIN2BSMN1; SMN2NPC1RAB9ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024182778-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. (US) 2024-09-06 WO disclosed
US-20080200460-A1 Chemical Compounds BROWN DEARG 2008-08-21 US disclosed
US-20080200460-A1 Chemical Compounds BROWN DEARG 2008-08-21 US disclosed
US-20080200460-A1 Chemical Compounds BROWN DEARG 2008-08-21 US disclosed
EP-1833792-A1 SUBSTITUTED PIPERIDINE COMPOUNDS FOR USE AS CCR5 MODULATORS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006067385-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2006-06-29 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-20080200460-A1 Chemical Compounds CCR5, CXCR4, CXCR5 GRIN2B 759/4885SMN1; SMN2 3791/4885NPC1 1430/4885

“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.