SCHEMBL2922385

SCHEMBL2922385

CCCN1CC=C(c2ccc(F)c(C#N)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.47
HTR6 P50406 1/20 0.42
DRD2 P14416 1/20 0.42
KCNA3 P22001 1/20 0.41
MET P08581 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR1A P08908 1/20 0.40

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
SCHEMBL2921933 0.79 SIGMAR1 (0.47) SIGMAR1HTR6DRD2MEN1KMT2A
SCHEMBL19944415 0.79 SIGMAR1 (0.62) SIGMAR1DRD2MEN1KMT2A
SCHEMBL6368095 0.74 SIGMAR1 (0.50) SIGMAR1DRD2KCNA3HTR1A
SCHEMBL29363627 0.72 SIGMAR1 (0.60) SIGMAR1DRD2KCNA3HTR1A
SCHEMBL17411300 0.72 HTR1A (0.51) SIGMAR1HTR6DRD2KCNA3HTR1A
SCHEMBL10257190 0.72 QDPR (0.44) SIGMAR1HTR6HTR1A
SCHEMBL2926368 0.71 SIGMAR1 (0.39) SIGMAR1HTR6DRD2MEN1KMT2A
SCHEMBL8575395 0.71 SIGMAR1 (0.62) SIGMAR1DRD2MEN1KMT2A
SCHEMBL11938943 0.71 SIGMAR1 (0.65) SIGMAR1HTR6DRD2HTR1A
SCHEMBL30690009 0.70 SIGMAR1 (0.45) SIGMAR1HTR6DRD2KCNA3HTR1A

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
US-RE41315-E1 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB (DE) 2010-05-04 US disclosed
EP-1419773-B1 4-Phenylpiperidine derivatives as modulators of dopamine neurotransmission NEUROSEARCH SWEDEN AB (SE) 2008-06-04 EP disclosed
US-6924374-B2 Central nervous system disorders; psychological disorders A. CARLSSON RESEARCH AB (SE) 2005-08-02 US disclosed
EP-1419773-A2 4-Phenylpiperidine derivatives as modulators of dopamine neurotransmission A. Carlsson Research AB (SE) 2004-05-19 EP disclosed
US-20030004169-A1 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2003-01-02 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 (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-20030004169-A1 Modulators of dopamine neurotransmission OPRD1, OPRK1, OPRM1 SIGMAR1 5/4885HTR6 130/4885DRD2 16/4885

“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.