SCHEMBL10053313

SCHEMBL10053313

O=C(CCCN1CCN(CCC(Oc2ccc(C(F)(F)F)cc2)c2ccccc2)CC1)c1ccc(F)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.69
DRD2 P14416 2/20 0.56
TSHR P16473 2/20 0.50
ABCB11 O95342 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
PKM P14618 1/20 0.50
MAPK1 P28482 1/20 0.50
THPO P40225 1/20 0.50
MTOR P42345 1/20 0.50
EBP Q15125 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
KDM4E B2RXH2 1/20 0.49
PMP22 Q01453 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL10053367 0.94 HTR1A (0.60) HTR1ADRD2TSHRABCB11TP53
SCHEMBL10021781 0.93 HTR1A (0.58) HTR1ADRD2TSHRCYP3A4CYP2D6
SCHEMBL10021782 0.89 HTR1A (0.55) HTR1ADRD2TSHRALDH1A1POLB
SCHEMBL10021765 0.86 TSHR (0.56) HTR1ADRD2TSHRCYP3A4CYP2D6
Fluanisone SCHEMBL1902027 0.85 HTR1A (0.68) HTR1ADRD2ALDH1A1POLB
SCHEMBL10052683 0.83 HTR1A (0.67) HTR1ACYP3A4CYP2D6KDM4E
SCHEMBL10021766 0.82 TSHR (0.54) HTR1ADRD2TSHRCYP3A4CYP2D6
Haloperidol SCHEMBL17962743 0.81 DRD2 (0.61) HTR1ADRD2TSHRABCB11TP53
SCHEMBL7427608 0.81 HTR1A (0.71) HTR1A
Oxalic Acid SCHEMBL4739725 0.80 HTR1A (0.67) HTR1A

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-20120016124-A1 SEROTONIN REUPTAKE INHIBITORS BAYLOR UNIVERSITY (US) 2012-01-19 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-20120016124-A1 SEROTONIN REUPTAKE INHIBITORS HTR2A, HTR2C, HTR1A HTR1A 3/4885DRD2 54/4885TSHR 308/4885

“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.