SCHEMBL15912349

SCHEMBL15912349

CC(C)(C)c1ccc2c(c1)CCNC2C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.38
MAOA P21397 3/20 0.36
DRD2 P14416 2/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2C9 P11712 1/20 0.36
DRD3 P35462 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DRD4 P21917 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
HTR2A P28223 3/20 0.34
HTR2C P28335 3/20 0.34
HTR2B P41595 3/20 0.34
TRPV1 Q8NER1 4/20 0.33
TRPV4 Q9HBA0 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
SCHEMBL15912353 0.83 PNMT (0.34) HSD17B10TRPV1TRPV4
SCHEMBL24478251 0.82 MAOA (0.51) KDM1AMAOADRD2TSHRKDM4E
SCHEMBL17544986 0.81 TBXA2R (0.40) KDM1AMAOADRD2TSHRKDM4E
SCHEMBL24326445 0.77 ADRB2 (0.44) KDM1ADRD2DRD4ADRB2ADRB1
SCHEMBL13783357 0.76 PRCP (0.56) TSHRHTR2AHTR2CHTR2B
SCHEMBL19223482 0.76 PRCP (0.56) TSHRHTR2AHTR2CHTR2B
SCHEMBL29060470 0.75 PRCP (0.41) KDM1AMAOADRD2TSHRKDM4E
SCHEMBL15912363 0.72 CRHBP (0.36) TRPV1
SCHEMBL24927960 0.71 TRPV1 (0.37) HSD17B10TRPV1TRPV4
SCHEMBL24326515 0.71 PRCP (0.40) KDM1AMAOADRD2TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-17 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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 KDM1A 3743/4885MAOA 2268/4885DRD2 2643/4885
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 KDM1A 3743/4885MAOA 2268/4885DRD2 2643/4885

“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.