SCHEMBL3556704

SCHEMBL3556704

O=C1c2cc(Br)ccc2C[C@@H]2C(OC(=O)C(F)(F)F)N(Cc3ccccc3)CCN12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.39
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.35
ALDH2 P05091 1/20 0.35
ALDH3A1 P30838 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA4 P48169 1/20 0.34
OPRM1 P35372 1/20 0.33

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
SCHEMBL3561555 0.89 HTR2A (0.41) SIGMAR1MAPTALDH1A1KDM4EMEN1
SCHEMBL3554778 0.88 ACHE (0.42) SIGMAR1
SCHEMBL3554628 0.84 HTR2A (0.41) SIGMAR1MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL3556341 0.84 SIGMAR1 (0.33) SIGMAR1MAPTOPRM1TMEM97THRB
SCHEMBL3558087 0.82 ACHE (0.42) SIGMAR1
SCHEMBL3552025 0.79 HTR2A (0.42) SIGMAR1ALDH1A1KDM4ENPSR1MEN1
SCHEMBL3554762 0.79 PARP1 (0.35) SIGMAR1MAPTALDH1A1KDM4ETHRB
SCHEMBL3554614 0.79 HTR2C (0.42) SIGMAR1ALDH1A1KDM4ENPSR1MEN1
SCHEMBL3550916 0.79 HTR1A (0.45) SIGMAR1
Trifluoroacetic Acid SCHEMBL3556703 0.76 DRD2 (0.41) SIGMAR1MAPTSMN1; SMN2ALDH1A1ALDH2

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 5 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
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 SIGMAR1 249/4885MAPT 1050/4885SMN1; SMN2 3122/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B SIGMAR1 260/4885MAPT 1109/4885SMN1; SMN2 3065/4885

“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.