SCHEMBL2395563

SCHEMBL2395563

C[C@@]1(c2ccccc2)CCN2CC[C@](C)(c3ccccc3)c3cc(NC(=O)OCCCCl)cc1c32

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
RECQL P46063 1/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 2/20 0.38
GAA P10253 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
THRB P10828 1/20 0.37
BCHE P06276 3/20 0.37
FSHR P23945 3/20 0.37
ACHE P22303 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 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
SCHEMBL2388483 1.00 TSHR (0.46) TSHRNPC1RAB9ASMN1; SMN2RECQL
SCHEMBL2392754 0.91 RAB9A (0.47) TSHRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8988175 0.91 RAB9A (0.47) TSHRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2393585 0.91 RAB9A (0.47) TSHRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2392361 0.89 TSHR (0.47) TSHRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2392355 0.89 TSHR (0.47) TSHRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8988177 0.89 TSHR (0.47) TSHRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL14233580 0.88 TSHR (0.39) TSHRMAPTBCHEFSHRACHE
SCHEMBL2389622 0.88 TSHR (0.47) TSHRNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL2394215 0.86 TSHR (0.47) TSHRNPC1RAB9AMAPTKMT2A

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-8188279-B2 Therapeutically useful substituted hydropyrido [3,2,1-ij] quinoline compounds ALLERGAN, INC. (US) 2012-05-29 US disclosed
US-20110237797-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2011-09-29 US disclosed
US-20100009985-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2010-01-14 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-20110237797-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 TSHR 3372/4885NPC1 609/4885RAB9A 977/4885
US-20100009985-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 TSHR 3372/4885NPC1 609/4885RAB9A 977/4885

“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.