SCHEMBL17299830

SCHEMBL17299830

Clc1nccc2c1cnn2C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 14/20 0.41
▸ GRM1 Q13255 1/20 0.41
▸ PDE4D Q08499 2/20 0.37
▸ CNR2 P34972 1/20 0.36
▸ PDE1C Q14123 2/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ BCR P11274 1/20 0.36
▸ ESR1 P03372 1/20 0.35
▸ PDE5A O76074 2/20 0.34
▸ PDE1B Q01064 2/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ PDE8A O60658 1/20 0.34
▸ PDE7A Q13946 1/20 0.34
▸ PDE10A Q9Y233 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
SCHEMBL15666749 0.79 CYP4F2 (0.42) —
SCHEMBL30291997 0.79 CYP4F2 (0.42) —
SCHEMBL2077023 0.74 ABL1 (0.49) PDE9AGRM1ABL1BCR
SCHEMBL31467845 0.74 NR3C1 (0.56) —
SCHEMBL25220019 0.73 PDE9A (0.39) PDE9AGRM1PDE4DPDE1CPDE5A
SCHEMBL21057528 0.73 GRM5 (0.43) GRM1
SCHEMBL2075668 0.72 ABL1 (0.47) PDE9AGRM1PDE4DPDE1CABL1
SCHEMBL20645214 0.71 ESR1 (0.36) GRM1PDE4DCNR2ABL1ESR1
SCHEMBL10124057 0.69 ALDH1A1 (0.40) PDE9APDE4DABL1
SCHEMBL19048628 0.69 PDE9A (0.47) PDE9AGRM1PDE1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150344474-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2015-12-03 — — US disclosed
US-20150344474-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2015-12-03 — — 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-20150344474-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS DRD1, DRD2, DRD3 PDE9A 997/4885GRM1 27/4885PDE4D 641/4885

“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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