SCHEMBL10513166

SCHEMBL10513166

CCC(=N)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
CES1 P23141 3/20 0.48
CES2 O00748 2/20 0.48
F2 P00734 1/20 0.46
F10 P00742 1/20 0.46
F12 P00748 1/20 0.46
F7 P08709 1/20 0.46
F3 P13726 1/20 0.46
PKM P14618 1/20 0.46
BLM P54132 2/20 0.44
TP53 P04637 1/20 0.43
KMT2A Q03164 3/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
C1S P09871 1/20 0.42
PRSS3 P35030 1/20 0.42
RECQL P46063 1/20 0.42
ESR1 P03372 2/20 0.42
CYP19A1 P11511 1/20 0.42
ESR2 Q92731 1/20 0.42

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
SCHEMBL3439684 0.83 ATM (0.45) ATMCES1CES2F2F10
SCHEMBL13317140 0.80 CES2 (0.52) ATMCES1CES2F2F10
SCHEMBL27544254 0.77 LMNA (0.41) ATMF2F10F12F7
SCHEMBL9425725 0.77 PTGS2 (0.57) CES1CES2F2F10F12
SCHEMBL25732370 0.76 F2 (0.48) CES1CES2F2F10F12
SCHEMBL22641377 0.75 HTT (0.46) CES1CES2KMT2AMAPTSMN1; SMN2
SCHEMBL22056712 0.75 NAPRT (0.41) TP53KMT2AMAPTLMNAMEN1
SCHEMBL14413122 0.75 HPGD (0.50) KMT2AMAPTSMN1; SMN2MEN1HPGD
SCHEMBL12599378 0.75 C1S (0.59) TP53KMT2AC1SMAPTSMN1; SMN2
SCHEMBL13673789 0.74 F2 (0.52) CES1F2F10F12F7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4207992-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME LG Display Co., Ltd. (KR) 2023-07-05 EP disclosed
EP-3458439-B1 2-ETHYLIDENE-1,5-DIMETHYL-3,3-DIPHENYLPYRROLIDINE ANALOGS AND METHODS FOR THEIR SYNTHESIS AND USE ALERE SAN DIEGO INC (US) 2021-12-08 EP disclosed
US-11192857-B2 2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine analogs and methods for their synthesis and use ALERE SAN DIEGO, INC. (US) 2021-12-07 US disclosed
US-20190292148-A1 2-ETHYLIDENE-1,5-DIMETHYL-3,3-DIPHENYLPYRROLIDINE ANALOGS AND METHODS FOR THEIR SYNTHESIS AND USE ALERE SAN DIEGO, INC. (US) 2019-09-26 US disclosed
EP-3088397-B1 COMPOUNDS THAT ABROGATE THE CELL CYCLE G2 CHECKPOINT FOR USE IN THE TREATMENT OF CANCER CANBAS CO LTD (JP) 2019-04-10 EP disclosed
US-10008675-B2 Organic compound and organic electroluminescent element comprising same DOOSAN CORPORATION (KR) 2018-06-26 US disclosed
US-20170114013-A1 LOW CALCEMIC, HIGHLY ANTIPROLIFERATIVE, ANALOGS OF CALCITRIOL NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2017-04-27 US disclosed
US-9481646-B2 Low calcemic, highly antiproliferative, analogs of calcitriol THE JOHNS HOPKINS UNIVERSITY (US) 2016-11-01 US disclosed
US-20160200746-A1 TITANIUM (IV) COMPOUNDS AND METHODS OF FORMING HETEROCYCLIC COMPOUNDS USING SAME UNIV MINNESOTA (US) 2016-07-14 US disclosed
WO-2014113607-A1 PROTECTIVE MOLECULES AGAINST ANTHRAX TOXIN THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-07-24 WO disclosed
US-7951827-B2 Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-05-31 US disclosed
EP-1869038-B1 SUBSTITUTED 5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRIDIN-2-YLAMINE COMPOUNDS AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-07-08 EP disclosed
EP-0304057-A2 Pyridinone derivatives, and agricultural and horticultural fungicidal compositions containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1989-02-22 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 (5 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-20170114013-A1 LOW CALCEMIC, HIGHLY ANTIPROLIFERATIVE, ANALOGS OF CALCITRIOL VDR, CYP24A1, CYP27B1 ATM 4262/4885CES1 1585/4885CES2 4268/4885
US-10008675-B2 Organic compound and organic electroluminescent element comprising same OR10J3, ORAI2, ETV6 ATM 997/4885CES1 3918/4885CES2 1276/4885
US-20160200746-A1 TITANIUM (IV) COMPOUNDS AND METHODS OF FORMING HETEROCYCLIC COMPOUNDS USING SAME TERT, PIK3C3, TPI1 ATM 2051/4885CES1 4750/4885CES2 3653/4885
US-11192857-B2 2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine analogs and methods for their synthesis and use DPYSL2, DNPEP, DPYSL3 ATM 4652/4885CES1 3137/4885CES2 3168/4885
US-20190292148-A1 2-ETHYLIDENE-1,5-DIMETHYL-3,3-DIPHENYLPYRROLIDINE ANALOGS AND METHODS FOR THEIR SYNTHESIS AND USE DPYSL2, DNPEP, DPYSL3 ATM 4652/4885CES1 3137/4885CES2 3168/4885

“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.