SCHEMBL3550883

SCHEMBL3550883

CON(C)C(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.47
TACR1 P25103 1/20 0.43
HDAC8 Q9BY41 7/20 0.43
NAMPT P43490 1/20 0.41
ACE P12821 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
F10 P00742 1/20 0.40

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
SCHEMBL30167025 1.00 PTPN1 (0.47) PTPN1TACR1HDAC8NAMPTACE
SCHEMBL24172862 1.00 PTPN1 (0.47) PTPN1TACR1HDAC8NAMPTACE
SCHEMBL3550881 1.00 PTPN1 (0.47) PTPN1TACR1HDAC8NAMPTACE
SCHEMBL30167036 1.00 PTPN1 (0.47) PTPN1TACR1HDAC8NAMPTACE
SCHEMBL6585678 0.89 PTPN1 (0.47) PTPN1TACR1HDAC8NAMPTACE
SCHEMBL25992122 0.86 PTPN1 (0.46) PTPN1HDAC8
SCHEMBL3891147 0.85 TACR1 (0.47) TACR1ACEMEN1KMT2AF10
SCHEMBL5618149 0.85 TACR1 (0.47) TACR1ACEMEN1KMT2AF10
SCHEMBL25349861 0.85 TACR1 (0.47) TACR1ACEMEN1KMT2AF10
SCHEMBL30581900 0.84 PTPN1 (0.46) PTPN1TACR1HDAC8NAMPTACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675859-B1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL MYERS SQUIBB CO (US) 2012-12-05 EP disclosed
US-7812024-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-12 US disclosed
US-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY 2007-09-13 US disclosed
US-7244843-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 US disclosed
EP-1675859-A1 MODULATORS OF SEROTONIN RECEPTORS Bristol-Myers Squibb Company (US) 2006-07-05 EP disclosed
WO-2005035533-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-21 WO disclosed
US-20050080074-A1 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY 2005-04-14 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-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS HTR5A, HTR1A, HTR2A PTPN1 1010/4885TACR1 59/4885HDAC8 2813/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B PTPN1 1046/4885TACR1 49/4885HDAC8 2608/4885

“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.