SCHEMBL31677871

SCHEMBL31677871

Cc1ncnc(C)c1-c1cc(NC(=O)C2CC2)ccc1OC[C@H]1CCCN1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.45
CHRNA4 P43681 3/20 0.45
CHRNB4 P30926 6/20 0.43
CHRNA3 P32297 6/20 0.43
ABL1 P00519 2/20 0.40
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.40
CHRNA2 Q15822 3/20 0.39
PDE5A O76074 1/20 0.39
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL31677867 0.93 ABL1 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3ABL1
SCHEMBL31678118 0.93 ABL1 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3ABL1
SCHEMBL24398568 0.88 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3POLB
SCHEMBL29619133 0.88 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3POLB
SCHEMBL31677923 0.87 ABL1 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3ABL1
SCHEMBL31677859 0.87 ABL1 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3ABL1
SCHEMBL31677944 0.87 ABL1 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3ABL1
SCHEMBL29619060 0.85 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3POLB
SCHEMBL29619050 0.85 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3POLB
SCHEMBL31677831 0.84 ABL1 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3ABL1

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-12559462-B2 Pyrimidine derivatives as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2026-02-24 US disclosed
US-20250270172-A1 Pyrimidine Derivatives As Modulators of the 5-HT2A Serotonin Receptor Useful For The Treatment of Disorders Related Thereto ARENA PHARMACEUTICALS, INC. (US) 2025-08-28 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 (2 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-20250270172-A1 Pyrimidine Derivatives As Modulators of the 5-HT2A Serotonin Receptor Useful For The Treatment of Disorders Related Thereto HTR2A, HTR5A, HTR1A CHRNB2 233/4885CHRNA4 280/4885CHRNB4 539/4885
US-12559462-B2 Pyrimidine derivatives as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto HTR2C, HTR1A, HTR2A CHRNB2 72/4885CHRNA4 96/4885CHRNB4 159/4885

“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.