SCHEMBL4247865

SCHEMBL4247865

CC(C)(C)c1ccc(CC2CCNCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.59
EP300 Q09472 11/20 0.46
CREBBP Q92793 1/20 0.43
SLC6A4 P31645 2/20 0.43
MLNR O43193 1/20 0.43
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1D P25100 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40

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 SCHEMBL7400329 0.98 GBA1 (0.58) GBA1EP300CREBBPSLC6A4MLNR
SCHEMBL18892649 0.84 EP300 (0.45) EP300CREBBPSLC6A4
SCHEMBL894468 0.82 GBA1 (0.59) GBA1SLC6A4
SCHEMBL25133411 0.82 GBA1 (0.59) GBA1SLC6A4
SCHEMBL9386187 0.81 SIGMAR1 (0.49) EP300CREBBPSLC6A4
Hydrochloric Acid SCHEMBL4773715 0.81 GBA1 (0.58) GBA1SLC6A4
SCHEMBL9599346 0.80 EED (0.51) GBA1MLNRADRA2AADRA2BADRA2C
SCHEMBL4245166 0.79 GBA1 (0.66) GBA1EP300SLC6A4
SCHEMBL25133603 0.79 GBA1 (0.66) GBA1EP300SLC6A4
SCHEMBL9359971 0.79 ADRA2A (0.41) ADRA2AADRA2BADRA2CADRA1DHTR1D

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
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 US disclosed
US-20090170901-A1 Benzoyl Urea Derivatives RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2009-07-02 US disclosed
US-7435744-B2 Piperidine derivatives as NMDA receptor antagonists GEDEON RICHTER VEGYESZETI GYAR RT (HU) 2008-10-14 US disclosed
EP-1409477-B1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON NYRT (HU) 2008-09-17 EP disclosed
US-20040157886-A1 Piperdine derivatives as NMDA receptor antagonists UCB Biopharma SRL (BE) 2004-08-12 US disclosed
EP-1409477-A1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2004-04-21 EP disclosed
WO-2003010159-A1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2003-02-06 WO disclosed
EP-0934932-A1 QUINOLINE DERIVATIVES AND PSYCHOTROPIC AGENT MEIJI SEIKA KABUSHIKI KAISHA (JP) 1999-08-11 EP 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 (3 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-20040157886-A1 Piperdine derivatives as NMDA receptor antagonists GRIN1, GRIN2D, GRIN2C GBA1 4362/4885EP300 1838/4885CREBBP 3896/4885
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES NFATC1, IL5, CD4 GBA1 2739/4885EP300 677/4885CREBBP 1288/4885
US-20090170901-A1 Benzoyl Urea Derivatives OPRM1, GRIN2C, GRIN3A GBA1 3315/4885EP300 868/4885CREBBP 1514/4885

“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.