SCHEMBL29377232

SCHEMBL29377232

C1=NCCc2cc(C3CC3)ccc21

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.31
QDPR P09417 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
DRD3 P35462 1/20 0.30
HTR6 P50406 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL29769963 0.72 CASP1 (0.37) DRD3HRH3
SCHEMBL30025550 0.72 ADRA2A (0.34)
SCHEMBL9573203 0.72 CYP19A1 (0.33)
Hydrochloric Acid SCHEMBL11820690 0.70 ADRA2A (0.33)
SCHEMBL2299154 0.69 HDAC1 (0.33) EPHX2QDPRHDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL587644 0.68 DHFR (0.32)
SCHEMBL30564302 0.68 PDE3B (0.42) QDPRHRH3
SCHEMBL29582168 0.68 ALDH1A1 (0.34)
SCHEMBL5542873 0.68 CYP11B1 (0.49) DRD3
SCHEMBL56690 0.66 TRPA1 (0.42) HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220041561-A1 Amino Pyrimidine Derivatives NOVARTIS AG (CH) 2022-02-10 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-20220041561-A1 Amino Pyrimidine Derivatives BTK, LCK, JAK1 EPHX2 3005/4885QDPR 1026/4885HDAC1 4223/4885

“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.