SCHEMBL6668672

SCHEMBL6668672

Nc1cccnc1C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.43
OPRL1 P41146 3/20 0.40
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 2/20 0.36
TP53 P04637 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
NPY5R Q15761 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
CNR2 P34972 1/20 0.36
FEN1 P39748 1/20 0.35
CXCR4 P61073 2/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL28167655 0.94 OPRL1 (0.36) CYP11B2OPRL1MAPTNPC1TP53
SCHEMBL31703523 0.90 OPRL1 (0.38) OPRL1KDM4EMAPTALDH1A1LMNA
SCHEMBL23362965 0.90 OPRL1 (0.38) OPRL1KDM4EMAPTALDH1A1LMNA
SCHEMBL27616206 0.81 PIM1 (0.35) CXCR4
Hydrochloric Acid SCHEMBL22031737 0.80 HTR1A (0.43)
SCHEMBL9998707 0.80 ESR2 (0.37) LMNACXCR4
SCHEMBL29262978 0.79 JAK2 (0.36) OPRL1MAPTLMNA
SCHEMBL1253356 0.78 CYP11B2 (0.44) CYP11B2OPRL1KDM4EGAAALDH1A1
SCHEMBL22940029 0.78 CYP11B2 (0.44) CYP11B2OPRL1KDM4EGAAALDH1A1
SCHEMBL15740601 0.78 TDO2 (0.36) CYP11B2OPRL1ALDH1A1NPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848591-B HDAC inhibitors and methods of making and using the same 成都先导药物开发股份有限公司 2022-03-18 CN disclosed
WO-2020216298-A1 HDAC INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 成都先导药物开发股份有限公司 2020-10-29 WO disclosed
CN-104334546-B Novel ring-substituted N-pyridyl amides as kinase inhibitors 诺华股份有限公司 2017-05-03 CN disclosed
EP-1457487-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE CIS-PIPERIDINE DERIVATIVES Toray Fine Chemicals Co., Ltd. (JP) 2004-09-15 EP disclosed
US-20040171836-A1 Method for producing optical-active cis-piperidine derivatives TORAY FINE CHEMICALS CO., LTD., A CORPORATION OF JAPAN, (JP) 2004-09-02 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 (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-20040171836-A1 Method for producing optical-active cis-piperidine derivatives TYR, DDC, TARBP1 CYP11B2 4794/4885OPRL1 97/4885KDM4E 4182/4885

“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.