SCHEMBL6345288

SCHEMBL6345288

NNC1CCCC(c2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.44
▸ FFAR4 Q5NUL3 1/20 0.42
▸ TRPV1 Q8NER1 2/20 0.41
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C1 Q04828 1/20 0.41

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
SCHEMBL24700592 0.81 KDM1A (0.47) KDM1A
SCHEMBL7055642 0.80 FFAR4 (0.60) FFAR4TRPV1
SCHEMBL780234 0.80 AKR1C3 (0.52) AKR1C3AKR1C1
SCHEMBL17846500 0.78 TRPV1 (0.50) FFAR4TRPV1AKR1C3AKR1C1
SCHEMBL21221593 0.77 TRPV1 (0.52) FFAR4TRPV1AKR1C3AKR1C1
SCHEMBL23352960 0.77 DRD2 (0.43) FFAR4
SCHEMBL2050 0.75 SLC18A3 (0.61) —
SCHEMBL1570353 0.75 KDM1A (0.51) KDM1AAKR1C3AKR1C1
SCHEMBL12540690 0.75 KDM1A (0.51) KDM1AAKR1C3AKR1C1
Hydrochloric Acid SCHEMBL10855802 0.73 KDM1A (0.50) KDM1A

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
EP-2334684-B1 PYRAZOLOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INT (DE) 2017-08-02 — — EP disclosed
US-9079905-B2 Compounds for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 — — US disclosed
US-9079905-B2 Compounds for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 — — US disclosed
US-20120115863-A1 COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 — — US disclosed
US-20120115863-A1 COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 — — US disclosed
WO-2010026214-A1 PYRAZOLOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 — — 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-20120115863-A1 COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS CNR1, CNR2, CHRM5 KDM1A 2212/4885FFAR4 3090/4885TRPV1 190/4885

“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.

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