SCHEMBL7842540

SCHEMBL7842540

Clc1ccccc1[C]1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.48
LMNA P02545 3/20 0.43
TSHR P16473 2/20 0.43
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DPP4 P27487 1/20 0.40
MAOB P27338 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL18549966 0.98 CYP2A6 (0.46) CYP2A6LMNATSHRNPC1RAB9A
SCHEMBL2543007 0.95 CYP2A6 (0.48) CYP2A6LMNATSHRNPC1RAB9A
SCHEMBL695559 0.90 CYP2A6 (0.52) CYP2A6LMNATSHRNPC1RAB9A
SCHEMBL6570335 0.80 CYP2A6 (0.48) CYP2A6LMNATSHRNPC1RAB9A
SCHEMBL11307092 0.78 CNR2 (0.42) TSHRALDH1A1MAPTMAPK1POLB
SCHEMBL6075548 0.76 CYP2A6 (0.40) CYP2A6LMNATSHRNPC1RAB9A
SCHEMBL3807297 0.75 NOTUM (0.42) CYP2A6TSHRMAPTMAPK1IDO1
SCHEMBL29802156 0.74 CYP2A6 (0.67) CYP2A6LMNATSHRNPC1RAB9A
SCHEMBL671133 0.74 CYP2A6 (0.67) CYP2A6LMNATSHRNPC1RAB9A
SCHEMBL29883244 0.74 CYP2A6 (0.67) CYP2A6LMNATSHRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111051325-B Spirothiocyclobutane nucleosides 詹森药业有限公司 2023-05-16 CN disclosed
EP-4148048-A1 LONG-ACTING LOW-ADDICTION HNK DERIVATIVE AND PREPARATION METHOD THEREFOR Shenzen Ruijian Biotechnology Co., Ltd. (CN) 2023-03-15 EP disclosed
EP-3676276-B1 SPIROTHIETANE NUCLEOSIDES JANSSEN PHARMACEUTICA NV (BE) 2021-12-08 EP disclosed
US-20210139524-A1 SPIROTHIETANE NUCLEOSIDES JANSSEN PHARMACEUTICA NV (BE) 2021-05-13 US disclosed
WO-2021078132-A1 INHIBITORS OF MTOR-MEDIATED INDUCTION OF AUTOPHAGY SIRONAX LTD (GB) 2021-04-29 WO disclosed
EP-3676276-A1 SPIROTHIETANE NUCLEOSIDES Janssen Pharmaceutica NV (BE) 2020-07-08 EP disclosed
CN-111051325-A Spirothiacyclobutanenucleosides 詹森药业有限公司 2020-04-21 CN disclosed
WO-2019043177-A1 SPIROTHIETANE NUCLEOSIDES JANSSEN PHARMACEUTICA NV (BE) 2019-03-07 WO disclosed
US-20170056313-A1 NAIL COATINGS HAVING ENHANCED ADHESION CREATIVE NAIL DESIGN, INC. (US) 2017-03-02 US disclosed
EP-1064262-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS CYCLIC GMP MODULATORS IN MEDICAMENTS Aventis Pharma Deutschland GmbH (DE) 2001-01-03 EP disclosed
WO-1999042444-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS CYCLIC GMP MODULATORS IN MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-08-26 WO 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-20210139524-A1 SPIROTHIETANE NUCLEOSIDES SAMHD1, SLC28A1, SLC28A2 CYP2A6 316/4885LMNA 321/4885TSHR 4528/4885
US-20170056313-A1 NAIL COATINGS HAVING ENHANCED ADHESION POLR1C, PIK3C3, NACA CYP2A6 2233/4885LMNA 1692/4885TSHR 4023/4885

“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.