SCHEMBL9468568

SCHEMBL9468568

Cc1ccc2c(c1)-c1c(O)ccc3c1C(C2)N(C)CC3

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.60
DRD1 P21728 4/20 0.60
DRD3 P35462 4/20 0.60
HTR1A P08908 4/20 0.57
ALDH1A1 P00352 8/20 0.57
MAPT P10636 7/20 0.57
KDM4E B2RXH2 7/20 0.57
HPGD P15428 7/20 0.57
MAPK1 P28482 6/20 0.57
HSD17B10 Q99714 6/20 0.57
PKM P14618 5/20 0.57
LMNA P02545 5/20 0.57
TP53 P04637 4/20 0.57
CYP1A2 P05177 4/20 0.57
KMT2A Q03164 4/20 0.57
CYP2C9 P11712 4/20 0.57
GAA P10253 3/20 0.57
HIF1A Q16665 3/20 0.57
CYP2C19 P33261 3/20 0.57
MEN1 O00255 2/20 0.57

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
SCHEMBL17299377 0.88 ALDH1A1 (0.64) DRD2DRD1DRD3HTR1AALDH1A1
SCHEMBL17289305 0.88 ALDH1A1 (0.64) DRD2DRD1DRD3HTR1AALDH1A1
Bromide SCHEMBL17291153 0.87 ALDH1A1 (0.65) DRD2DRD1DRD3HTR1AALDH1A1
SCHEMBL30004318 0.84 DRD2 (0.72) DRD2DRD1DRD3HTR1AALDH1A1
SCHEMBL2554856 0.84 DRD2 (0.72) DRD2DRD1DRD3HTR1AALDH1A1
SCHEMBL3265051 0.84 DRD2 (0.72) DRD2DRD1DRD3HTR1AALDH1A1
SCHEMBL12877906 0.79 DRD2 (0.80) DRD2DRD1ALDH1A1MAPTKDM4E
SCHEMBL12877888 0.76 DRD2 (0.75) DRD2DRD1DRD3HTR1AALDH1A1
SCHEMBL21901282 0.74 KDM4E (0.80) DRD2DRD1DRD3HTR1AALDH1A1
SCHEMBL12877903 0.73 DRD2 (0.72) DRD2DRD1ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5202502-A Using b-halodiiso-2-ethylapopinocampheylborane as reducing agent ALDRICH CHEMICAL COMPANY, INC. (US) 1993-04-13 US claimed
US-5159116-A Reducing agents in the asymmetric reduction of ketones to optically active alcohols ALDRICH CHEMICAL COMPANY, INC. (US) 1992-10-27 US claimed
US-9233966-B2 Preparation of ticagrelor DR. REDDY'S LABORATORIES LIMITED (IN) 2016-01-12 US disclosed
US-20150073146-A1 PREPARATION OF TICAGRELOR DR. REDDY'S LABORATORIES LIMITED (IN) 2015-03-12 US disclosed
EP-2834247-A2 PREPARATION OF TICAGRELOR Dr. Reddy's Laboratories Ltd. (IN) 2015-02-11 EP disclosed
WO-2013150495-A2 PREPARATION OF TICAGRELOR DR. REDDY'S LABORATORIES LIMITED (IN) 2013-10-10 WO disclosed
US-5258384-A Antidote for effects of cocaine, appetite suppressants BRITISH TECHNOLOGY GROUP LIMITED (GB) 1993-11-02 US disclosed
US-5220072-A Reacting 2-ethylapopinene enantiomorph with haloborane-methyl sulfide complex ALDRICH CHEMICAL CO., INC. (US) 1993-06-15 US disclosed
US-5202502-A Using b-halodiiso-2-ethylapopinocampheylborane as reducing agent ALDRICH CHEMICAL COMPANY, INC. (US) 1993-04-13 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-20150073146-A1 PREPARATION OF TICAGRELOR CYP3A4, CYP2C19, TBXAS1 DRD2 2546/4885DRD1 3507/4885DRD3 3694/4885

“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.