SCHEMBL4252011

SCHEMBL4252011

CC1CCN(c2ccc(C(=O)O)cn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.61
NPC1 O15118 5/20 0.61
ALDH1A1 P00352 5/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
MAPT P10636 3/20 0.61
TSHR P16473 2/20 0.61
LMNA P02545 2/20 0.61
USP2 O75604 1/20 0.60
HRH3 Q9Y5N1 2/20 0.57
HPGD P15428 2/20 0.56
PKM P14618 1/20 0.56
KDM4E B2RXH2 3/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
NR4A1 P22736 1/20 0.52
HSD17B10 Q99714 1/20 0.52
OGA O60502 1/20 0.49
TP53 P04637 2/20 0.49
MITF O75030 1/20 0.49
NFKB1 P19838 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
SCHEMBL24026552 0.88 ALDH1A1 (0.58) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL14575732 0.86 HRH3 (0.55) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL601333 0.85 HRH3 (0.54) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL14605216 0.85 LMNA (0.55) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL14575817 0.84 HRH3 (0.63) RAB9ANPC1HRH3KMT2AADRA1A
SCHEMBL14575548 0.84 MCHR1 (0.55) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL12017424 0.84 RAB9A (0.64) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL14575861 0.83 HRH3 (0.53) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL16827303 0.83 RAB9A (0.67) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL14575465 0.82 HRH3 (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT

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
WO-2018029604-A1 C-3 NOVEL TRITERPENONE WITH C-17 REVERSE AMIDE DERIVATIVES AS HIV INHIBITORS HETERO LABS LIMITED (IN) 2018-02-15 WO disclosed
US-20120220615-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE VERDONCK MARC GUSTAAF CELINE (BE) 2012-08-30 US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 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-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS GABBR1, GABBR2, CHRM2 RAB9A 733/4885NPC1 869/4885ALDH1A1 204/4885
US-20120220615-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 RAB9A 2746/4885NPC1 2522/4885ALDH1A1 641/4885

“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.