SCHEMBL15912431

SCHEMBL15912431

CC1(Nc2ccc(N)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
ALDH1A1 P00352 5/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
NR4A1 P22736 1/20 0.38
RAB9A P51151 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
RAD52 P43351 1/20 0.35
ACHE P22303 1/20 0.35
TDP1 Q9NUW8 4/20 0.33
TP53 P04637 3/20 0.33
PKM P14618 2/20 0.33
ALOX15 P16050 2/20 0.33
KDM4E B2RXH2 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
SCHEMBL16448226 0.76 TDP1 (0.42) MAPTALDH1A1L3MBTL1CYP3A4CYP2C19
SCHEMBL3764095 0.74 ALDH1A1 (0.38) MAPTALDH1A1L3MBTL1CYP3A4CYP2C19
SCHEMBL18469671 0.68 MAPK1 (0.41) ALDH1A1CYP1A2RAB9ASMN1; SMN2MAPK1
SCHEMBL24591447 0.67 NR4A1 (0.31) MAPTALDH1A1L3MBTL1CYP3A4CYP2C19
SCHEMBL4059985 0.67 TDP1 (0.43) ALDH1A1L3MBTL1CYP3A4ALOX12HTT
SCHEMBL5509730 0.66 POLB (0.54) MAPTALDH1A1CYP2C19RAB9AMEN1
SCHEMBL1849297 0.66 ALDH1A1 (0.50) MAPTALDH1A1L3MBTL1CYP3A4CYP2C19
SCHEMBL14744168 0.64 OPRM1 (0.45) ALDH1A1CYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL525926 0.64
SCHEMBL28362238 0.64 ACHE (0.40) MAPTALDH1A1L3MBTL1CYP3A4CYP2C19

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 MAPT 4564/4885ALDH1A1 4135/4885L3MBTL1 2087/4885
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 MAPT 4564/4885ALDH1A1 4135/4885L3MBTL1 2087/4885

“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.