SCHEMBL3554614

SCHEMBL3554614

O=C1c2cccc(C(F)(F)F)c2C[C@@H]2C(OC(=O)C(F)(F)F)N(Cc3ccccc3)CCN12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
SIGMAR1 Q99720 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ATM Q13315 2/20 0.37
ALDH1A1 P00352 1/20 0.37
P2RX7 Q99572 6/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FAAH O00519 2/20 0.35
BCHE P06276 2/20 0.35
ACHE P22303 2/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
LMNA P02545 1/20 0.35
HTR3A P46098 2/20 0.34
POLB P06746 2/20 0.34

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
SCHEMBL3552025 0.85 HTR2A (0.42) HTR2CHTR2BSIGMAR1KDM4EATM
SCHEMBL3554628 0.81 HTR2A (0.41) HTR2CHTR2BSIGMAR1KDM4EATM
SCHEMBL3561555 0.81 HTR2A (0.41) HTR2CHTR2BSIGMAR1KDM4EATM
SCHEMBL3556341 0.79 SIGMAR1 (0.33) SIGMAR1ACHELMNA
SCHEMBL3556704 0.79 SIGMAR1 (0.39) SIGMAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL3554762 0.78 PARP1 (0.35) HTR2CHTR2BSIGMAR1KDM4EATM
SCHEMBL3558087 0.78 ACHE (0.42) HTR2CHTR2BSIGMAR1ACHE
SCHEMBL3554778 0.78 ACHE (0.42) HTR2CHTR2BSIGMAR1TDP1ACHE
SCHEMBL3550916 0.78 HTR1A (0.45) HTR2CHTR2BSIGMAR1ACHEPOLB
Trifluoroacetic Acid SCHEMBL3554611 0.76 HTR2C (0.52) HTR2CHTR2BSIGMAR1KDM4EATM

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 HTR2C 5/4885HTR2B 4/4885SIGMAR1 249/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B HTR2C 6/4885HTR2B 3/4885SIGMAR1 260/4885

“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.