SCHEMBL15055797

SCHEMBL15055797

Oc1ccc(F)c2c1CCNCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.47
HTR2A P28223 3/20 0.47
HTR2B P41595 3/20 0.47
ADCY6 O43306 1/20 0.40
ADCY3 O60266 1/20 0.40
ADCY9 O60503 1/20 0.40
ADCY5 O95622 1/20 0.40
ADCY8 P40145 1/20 0.40
ADCY7 P51828 1/20 0.40
ADCY2 Q08462 1/20 0.40
ADCY1 Q08828 1/20 0.40
ADCY4 Q8NFM4 1/20 0.40
HTR1A P08908 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
DRD2 P14416 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 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
SCHEMBL16518063 0.88 ERN1 (0.41) HTR2CHTR2AHTR2BHTR1ACYP1A2
Bromide SCHEMBL38652851 0.86 ERN1 (0.40) HTR2CHTR2AHTR2BHTR1ACYP1A2
SCHEMBL23674930 0.84 CYP1A2 (0.45) HTR1ACYP1A2CYP2D6DRD2PKM
SCHEMBL8432407 0.80 CYP1A2 (0.42) HTR2AHTR1ACYP1A2CYP2D6DRD2
SCHEMBL12118828 0.80 BCL2L1 (0.45) HTR1ACYP1A2CYP2D6DRD2PKM
SCHEMBL2258843 0.76 HTR2C (0.47) HTR2CHTR2AHTR2BHTR7HTR3A
SCHEMBL8909616 0.75 HTR2C (0.50) HTR2CHTR2AHTR2BADCY6ADCY3
Hydrochloric Acid SCHEMBL1198541 0.74 HTR2C (0.46) HTR2CHTR2AHTR2BHTR7HTR3A
Hydrochloric Acid SCHEMBL21521392 0.72 LMNA (0.36) HTR2CHTR1ACYP1A2CYP2D6DRD2
SCHEMBL10349225 0.72 DRD2 (0.45) HTR1ACYP1A2CYP2D6DRD2PKM

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-2794563-B1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2017-02-22 EP disclosed
US-9255090-B2 Heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-09 US disclosed
US-20150252036-A1 Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 US disclosed
EP-2794563-A1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2014-10-29 EP disclosed
WO-2013093842-A1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2013-06-27 WO 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-20150252036-A1 Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators PTGDR, PTGER1, PTGDR2 HTR2C 288/4885HTR2A 265/4885HTR2B 310/4885

“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.