SCHEMBL3026604

SCHEMBL3026604

CO/C=C/c1sccc1Br

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.33
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL3132971 1.00 KDR (0.33) KDRPOLBNPC1PKMRAB9A
SCHEMBL3026605 1.00 KDR (0.33) KDRPOLBNPC1PKMRAB9A
SCHEMBL12074783 0.80 KDR (0.40) KDRPOLBNPC1PKMRAB9A
SCHEMBL8747126 0.78 RAB9A (0.50) POLBNPC1PKMRAB9AATM
SCHEMBL21654289 0.76 KDR (0.33) KDRPOLBNPC1PKMRAB9A
SCHEMBL17057004 0.72 APP (0.35)
SCHEMBL18309110 0.67 APP (0.32)
SCHEMBL964511 0.67
SCHEMBL21012218 0.67
SCHEMBL9756842 0.67 AKR1C3 (0.47) KDRPOLBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170903-B1 SPIRO[PIPERIDINE-4,4' -THIENO[3, 2-C]PYRAN]DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE SIGMA RECEPTOR FOR THE TREATMENT OF PSYCHOSIS ESTEVE LABOR DR (ES) 2012-09-05 EP disclosed
US-20100190813-A1 SPIRO [PIPERIDINE-4- 4' -THIENO [3,2-C] PYRAN] DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE SIGMA RECEPTOR FOR THE TREATMENT OF PSYCHOSIS OBERDORF CHRISTOPH 2010-07-29 US disclosed
EP-2170903-A1 SPIRO ÝPIPERIDINE-4, 4' -THIENO Ý3, 2-C¨PYRAN¨DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE SIGMA RECEPTOR FOR THE TREATMENT OF PSYCHOSIS Laboratorios Del. Dr. Esteve, S.A. (ES) 2010-04-07 EP disclosed
EP-2020414-A1 spiro[piperidine-4,4'-thieno[3,2-c]pyran] derivatives and related compounds as inhibitors of the sigma receptor for the treatment of psychosis Laboratorios del Dr. Esteve S.A. (ES) 2009-02-04 EP disclosed
WO-2008155132-A1 SPIRO [PIPERIDINE-4, 4' -THIENO [3, 2-C] PYRAN] DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE SIGMA RECEPTOR FOR THE TREATMENT OF PSYCHOSIS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-12-24 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-20100190813-A1 SPIRO [PIPERIDINE-4- 4' -THIENO [3,2-C] PYRAN] DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE SIGMA RECEPTOR FOR THE TREATMENT OF PSYCHOSIS SIGMAR1, OPRD1, OPRK1 KDR 1867/4885POLB 1748/4885NPC1 2809/4885

“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.