SCHEMBL5470348

SCHEMBL5470348

CCC(CN)c1c[nH]c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.66
HTR2C P28335 3/20 0.66
HTR2B P41595 2/20 0.66
GPR84 Q9NQS5 3/20 0.65
FFAR1 O14842 2/20 0.57
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
USP2 O75604 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CYP2D6 P10635 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
TP53 P04637 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 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
SCHEMBL20037115 0.90 GPR84 (0.73) HTR2AHTR2CHTR2BGPR84FFAR1
SCHEMBL17500215 0.83 CYP2D6 (0.64) HTR2AHTR2CHTR2BGPR84FFAR1
SCHEMBL20048442 0.83 GPR84 (0.71) HTR2AHTR2CHTR2BGPR84FFAR1
SCHEMBL29045649 0.81 GPR84 (0.61) HTR2AHTR2CHTR2BGPR84FFAR1
SCHEMBL273410 0.81 HTR2A (0.58) HTR2AHTR2CHTR2BGPR84FFAR1
SCHEMBL27777642 0.80 GPR84 (0.56) HTR2AHTR2CHTR2BGPR84FFAR1
SCHEMBL27015608 0.80 GPR84 (0.52) HTR2AHTR2CHTR2BGPR84FFAR1
SCHEMBL9309358 0.80 HTR2A (0.56) HTR2AHTR2CHTR2BGPR84FFAR1
SCHEMBL29611535 0.79 HTR2A (1.00) HTR2AHTR2CHTR2BGPR84FFAR1
SCHEMBL274662 0.79 HTR2A (1.00) HTR2AHTR2CHTR2BGPR84FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150025063-A1 Antiparkinsonian Action of Phenylisopropylamines UNIV DUKE (US) 2015-01-22 US disclosed
US-8877802-B2 Antiparkinsonian action of phenylisopropylamines Duke Univerity (US) 2014-11-04 US disclosed
US-20070027208-A1 Antiparkinsonian Action of Phenylisopropylamines NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-02-01 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-20070027208-A1 Antiparkinsonian Action of Phenylisopropylamines PNMT, SNCA, COMT HTR2A 18/4885HTR2C 44/4885HTR2B 85/4885
US-20150025063-A1 Antiparkinsonian Action of Phenylisopropylamines PNMT, SNCA, COMT HTR2A 18/4885HTR2C 44/4885HTR2B 85/4885

“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.