SCHEMBL466344

SCHEMBL466344

[CH2]C1CCCc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.53
TSHR P16473 1/20 0.44
ADRA2A P08913 2/20 0.44
ADRA1A P35348 2/20 0.44
CYP2D6 P10635 2/20 0.44
LMNA P02545 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1B P35368 1/20 0.44
HTR1A P08908 1/20 0.44
OPRM1 P35372 1/20 0.44
HTT P42858 1/20 0.44
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
TAS1R2 Q8TE23 2/20 0.43
CHRNA7 P36544 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
TAAR1 Q96RJ0 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
SCHEMBL186362 0.86 IDO1 (0.50) IDO1ADRA1A
SCHEMBL29357487 0.77 IDO1 (0.57) IDO1TSHRADRA2AADRA1ACYP2D6
SCHEMBL145977 0.77 IDO1 (0.57) IDO1TSHRADRA2AADRA1ACYP2D6
SCHEMBL1705441 0.77 IDO1 (0.52) IDO1TSHRADRA2AADRA1ACYP2D6
SCHEMBL7765637 0.76 IGF1R (0.39) IDO1TSHRMEN1KMT2A
SCHEMBL13082165 0.76 IDO1 (0.55) IDO1TSHRADRA2AADRA1ACYP2D6
SCHEMBL469047 0.74 IDO1 (0.58) IDO1TSHRADRA2AADRA1ALMNA
SCHEMBL1705439 0.74 IDO1 (0.53) IDO1TSHRADRA2AADRA1ACYP2D6
SCHEMBL4248158 0.74 IDO1 (0.53) IDO1TSHRADRA2AADRA1ACYP2D6
SCHEMBL10729425 0.74 IDO1 (0.53) IDO1TSHRADRA2AADRA1ACYP2D6

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 384 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10071984-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-09-11 US claimed
US-9676770-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2017-06-13 US claimed
EP-2168952-B1 MORPHOLINE DERIVATIVES AS RENIN INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2017-02-15 EP claimed
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US claimed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 US claimed
EP-2155751-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2010-02-24 EP claimed
US-7662849-B2 Amidino compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2010-02-16 US claimed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US claimed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 WO claimed
US-7304086-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2007-12-04 US claimed
EP-0696584-A1 Substituted biphenyloxazolines and their use as fungicides BAYER AG (DE) 1996-02-14 EP claimed
US-5481036-A RENIN INHIBITORS, HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-01-02 US claimed
EP-0664797-A1 SULPHONYL AMINO CARBONYL TRIAZOLINONES. BAYER AG (DE) 1995-08-02 EP claimed
US-5319082-A N-acylamino acid derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-06-07 US claimed
WO-1994008979-A1 SULPHONYL AMINO CARBONYL TRIAZOLINONES BAYER AKTIENGESELLSCHAFT (DE) 1994-04-28 WO claimed
US-5240924-A Dipeptide hypotensives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-31 US claimed
US-5122523-A Hypotensive agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-06-16 US claimed
US-4310459-A Process for producing carbamoyl substituted penams and carbamoyl substituted cephams from penicillin sulfoxide esters BRISTOL-MYERS COMPANY (US) 1982-01-12 US claimed
US-4239765-A ANTIMYCOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1980-12-16 US claimed
EP-0011770-A1 Fluorenyl-azolylmethyl-carbinols, process for their preparation, medicaments containing them and method for preparing of these medicaments BAYER AG (DE) 1980-06-11 EP claimed

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-20100240644-A1 MORPHOLINE DERIVATIVE REN, AGTR1, AGTR2 IDO1 1686/4885TSHR 807/4885ADRA2A 316/4885
US-20090099195-A1 Therapeutic Compounds 570 OPRL1, OPRK1, OPRM1 IDO1 3948/4885TSHR 1066/4885ADRA2A 195/4885
US-10071984-B2 Histone demethylase inhibitors KDM1B, KDM1A, KDM3B IDO1 208/4885TSHR 3927/4885ADRA2A 4301/4885

“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.