SCHEMBL10192579

SCHEMBL10192579

Cc1cc(N)ccc1NC1CCCN(C)C1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 11/20 0.45
BPTF Q12830 1/20 0.45
IL1B P01584 6/20 0.43
NLRP3 Q96P20 5/20 0.43
RAD52 P43351 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL31000437 0.85 RAD52 (0.40) RAD52ALDH1A1LMNAMAPTCRHBP
SCHEMBL1814668 0.84 FLT3 (0.45) KAT2BRAD52ALDH1A1LMNAMAPT
SCHEMBL31203040 0.84 FLT3 (0.45) KAT2BRAD52ALDH1A1LMNAMAPT
SCHEMBL12676513 0.78 POLB (0.49) KAT2BBPTF
SCHEMBL31202958 0.74 HTR3E (0.46) KAT2BRAD52ALDH1A1LMNAMAPT
SCHEMBL31203072 0.73 RAD52 (0.36) RAD52ALDH1A1LMNAMAPTCRHBP
SCHEMBL10192577 0.73 PRKCZ (0.49) ALDH1A1LMNAMAPTCRHBPCRHR2
SCHEMBL19622603 0.71 IL1B (0.43) KAT2BIL1BNLRP3
SCHEMBL23177340 0.70 AAK1 (0.42) KAT2BBPTF
SCHEMBL23177128 0.70 AAK1 (0.42) KAT2BBPTF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS HOLDINGS INC (US) 2014-12-11 US disclosed
US-8674095-B2 Compounds for treating neuropsychiatric conditions AFRAXIS HOLDINGS, INC. (US) 2014-03-18 US disclosed
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS, INC. (US) 2012-07-19 US disclosed
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS INC. (US) 2012-02-23 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 (3 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-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA GRIN2A, GRIN2C, GRIN3A KAT2B 212/4885BPTF 3773/4885IL1B 4486/4885
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS PAK2, PAK5, PAK6 KAT2B 168/4885BPTF 1956/4885IL1B 4491/4885
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA PAK2, PAK3, PAK4 KAT2B 250/4885BPTF 4179/4885IL1B 4329/4885

“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.