SCHEMBL3016546

SCHEMBL3016546

c1ccc(N2CCN(c3nccs3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.65
NPC1 O15118 1/20 0.65
SLC6A7 Q99884 1/20 0.56
MAPT P10636 2/20 0.55
LMNA P02545 1/20 0.55
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 4/20 0.51
ALDH1A1 P00352 2/20 0.50
SCD O00767 1/20 0.50
TSHR P16473 1/20 0.48
DRD2 P14416 2/20 0.47
HTR2A P28223 1/20 0.47
HRH1 P35367 1/20 0.47
DRD4 P21917 2/20 0.46
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
DRD3 P35462 1/20 0.45
MLYCD O95822 1/20 0.44
KMT2A Q03164 1/20 0.43
GRM5 P41594 1/20 0.43

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
Hydrochloric Acid SCHEMBL27752386 0.98 RAB9A (0.63) RAB9ANPC1SLC6A7MAPTLMNA
SCHEMBL29102030 0.84
SCHEMBL11072000 0.83 NPC1 (0.66) RAB9ANPC1SLC6A7MAPTLMNA
SCHEMBL22495221 0.83 NPC1 (0.66) RAB9ANPC1SLC6A7MAPTLMNA
SCHEMBL2628934 0.79 HRH1 (0.57) RAB9ANPC1SLC6A7MEN1ALDH1A1
SCHEMBL3529262 0.78 HSD17B10 (0.49) RAB9ANPC1SLC6A7MAPTHSD17B10
SCHEMBL3049289 0.77 NPC1 (0.58) RAB9ANPC1SLC6A7HSD17B10MEN1
SCHEMBL14206747 0.77 ADRA2C (0.56) RAB9ANPC1SLC6A7HSD17B10MEN1
SCHEMBL3066594 0.77 HSD17B10 (0.58) RAB9ANPC1SLC6A7MAPTHSD17B10
SCHEMBL3529417 0.77 ALDH1A1 (0.55) RAB9ANPC1SLC6A7MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188272-B1 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND NV (BE) 2016-02-24 EP disclosed
US-8722681-B2 N-sulfonyl thiazolylpiperazine derivatives and related N-sulfonyl heterocyclic derivatives for the treatment of neuro degenerative diseases NV REMYND (BE) 2014-05-13 US disclosed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
US-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2010-08-05 US disclosed
EP-2188272-A2 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV Remynd (BE) 2010-05-26 EP disclosed
WO-2009019295-A2 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-12 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-20100267697-A1 ION CHANNEL MODULATORS CACNA1E, CACNA1A, CACNA1S RAB9A 997/4885NPC1 481/4885SLC6A7 425/4885
US-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES SMN1; SMN2, HTT, SNCA RAB9A 2943/4885NPC1 15/4885SLC6A7 840/4885

“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.