SCHEMBL12873574

SCHEMBL12873574

COc1ccc(CN(c2ncccn2)C(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.56
▸ MAPT P10636 1/20 0.56
▸ TSHR P16473 3/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CYP2D6 P10635 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ SLC6A4 P31645 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ CHRM2 P08172 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ HTR1A P08908 1/20 0.48
▸ ADRA2A P08913 1/20 0.48
▸ DRD1 P21728 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HRH1 P35367 1/20 0.48
▸ OPRM1 P35372 1/20 0.48
▸ HTR2B P41595 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48

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
SCHEMBL12873572 0.81 ALDH1A1 (0.46) LMNATSHRCYP1A2ALDH1A1SLC6A4
SCHEMBL28298127 0.80 LMNA (0.77) LMNAMAPTTSHRCYP1A2CYP2D6
SCHEMBL20871285 0.80 TAAR1 (0.57) ALDH1A1SLC6A4APLNRTAAR1
SCHEMBL12873643 0.80 TAAR1 (0.40) LMNAMAPTTSHRCYP1A2CYP2D6
SCHEMBL12889038 0.78 LMNA (0.65) LMNAMAPTTSHRCYP1A2CYP2D6
SCHEMBL11669812 0.75 TAAR1 (0.54) LMNATSHRALDH1A1MEN1KMT2A
SCHEMBL20871299 0.75 TAAR1 (0.59) SLC6A4MEN1KMT2AAPLNRTAAR1
SCHEMBL22340686 0.74 TAAR1 (0.52) LMNAMAPTALDH1A1SLC6A4APLNR
SCHEMBL20871284 0.74 TAAR1 (0.52) LMNAMAPTALDH1A1SLC6A4APLNR
SCHEMBL29335351 0.74 CYP19A1 (0.49) LMNAMAPTALDH1A1KMT2AAPLNR

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-9162988-B2 Therapeutic or prophylactic agent for allergic dermatitis TORAY INDUSTRIES, INC. (JP) 2015-10-20 — — US disclosed
US-20130150390-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS TORAY INDUSTRIES, INC. (JP) 2013-06-13 — — US disclosed
US-7893046-B2 agent comprises as an effective ingredient a glycine derivative or a pharmaceutically acceptable salt thereof, for example [(E)-2-(2,6-dichlorobenzamido)-5-[4-(isopropyl-pyrimidin-2-ylamino)phenyl]pent-4-enoic acid] TORAY INDUSTRIES, INC. (JP) 2011-02-22 — — US disclosed
US-7879837-B2 administering glycine derivatives such as (E)-2-(2,6-dichlorobenzamido)-5-[4-(isopropyl-pyrimidin-2-ylamino)phenyl]pent-4-enoic acid, used for the treatment of nervous system disorders TORAY INDUSTRIES, INC. (JP) 2011-02-01 — — US disclosed
US-20090275599-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR MULTIPLE SCLEROSIS TORAY INDUSTRIES, INC. (JP) 2009-11-05 — — US disclosed
US-20090253724-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR LEUKEMIA TORAY INDUSTRIES, INC. (JP) 2009-10-08 — — US disclosed
US-7566724-B2 Glycine derivative and use thereof TORAY INDUSTRIES, INC. (JP) 2009-07-28 — — US disclosed
US-20090093508-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS TORAY INDUSTRIES, INC. (JP) 2009-04-09 — — US disclosed
US-20080085910-A1 Glycine Derivative and Use Thereof TORAY INDUSTRIES, INC. (JP) 2008-04-10 — — 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 (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-20090093508-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS HRH2, TSLP, ENPEP LMNA 3593/4885MAPT 3547/4885TSHR 4596/4885
US-20130150390-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS HRH2, TSLP, ENPEP LMNA 3593/4885MAPT 3547/4885TSHR 4596/4885
US-20080085910-A1 Glycine Derivative and Use Thereof GNMT, SI, SLC7A11 LMNA 3544/4885MAPT 2868/4885TSHR 4861/4885
US-20090275599-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR MULTIPLE SCLEROSIS PMP22, MGMT, ENPEP LMNA 2124/4885MAPT 3044/4885TSHR 4383/4885
US-20090253724-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR LEUKEMIA MCL1, ENPEP, SLC7A1 LMNA 816/4885MAPT 4877/4885TSHR 4717/4885

“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.

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