SCHEMBL2995949

SCHEMBL2995949

CC(c1ccc(F)cc1)N1CCc2c(C(=O)O)cccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.40
PTGER4 P35408 1/20 0.39
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
MC4R P32245 1/20 0.38
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
LMNA P02545 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
HTT P42858 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
ALDH1A1 P00352 1/20 0.36
P2RX7 Q99572 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36

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
SCHEMBL3003306 0.83 HSD11B1 (0.41) HSD11B1POLBRECQLCYP3A4CYP2C9
SCHEMBL2996231 0.77 DHPS (0.42) LMNAHTTL3MBTL1ALDH1A1FABP4
SCHEMBL14870541 0.69 PSEN1 (0.47) HSD11B1CYP3A4CYP2C9CYP2C19PSEN1
SCHEMBL8551946 0.69 MAPT (0.38) POLBLMNAHTTL3MBTL1ALDH1A1
SCHEMBL3005941 0.69 ALOX15 (0.41) LMNASMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL8023232 0.68 PSEN1 (0.49) HSD11B1CYP3A4CYP2C9CYP2C19PSEN1
SCHEMBL3740094 0.68 ALDH1A1 (0.39) CYP2C9ALDH1A1P2RX7
SCHEMBL23812291 0.67 PTGER4 (0.42) HSD11B1PTGER4MC4RALDH1A1P2RX7
SCHEMBL2992351 0.67 ALDH1A1 (0.45) SMN1; SMN2HTTALDH1A1
SCHEMBL8021550 0.66 PSEN1 (0.47) HSD11B1CYP3A4CYP2C9CYP2C19PSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372864-B2 1-oxo-isoindoline-4-carboxamide and 1-oxo-1,2,3,4-tetrahydroisoquinoline-5-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2013-02-12 US disclosed
CN-101790514-B 1-oxo-isoindoline-4-carboxamide and 1-oxo-1, 2,3, 4-tetrahydroisoquinoline-5-carboxamide derivatives, preparation and therapeutic use thereof SANOFI AVENTIS 2012-12-19 CN disclosed
US-20100197725-A1 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 US disclosed
CN-101790514-A 1-oxo-isoindoline-4-carboxamide and 1-oxo-1, 2,3, 4-tetrahydroisoquinoline-5-carboxamide derivatives, preparation and therapeutic use thereof SANOFI AVENTIS 2010-07-28 CN 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-20100197725-A1 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF COX4I1, CNR2, CNR1 HSD11B1 3968/4885PTGER4 1489/4885POLB 2913/4885

“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.