SCHEMBL12873602

SCHEMBL12873602

CC(C)N(c1ccccc1)c1ncccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.41
DHFR P00374 2/20 0.41
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALOX12 P18054 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 1/20 0.38
CHRM2 P08172 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL13338408 0.86 DHFR (0.38) TAAR1DHFRALDH1A1KMT2AMAPT
SCHEMBL1120983 0.82 CES2 (0.35) ALDH1A1KMT2AMAPTHTTLMNA
SCHEMBL13338416 0.82 ALDH1A1 (0.46) TAAR1DHFRALDH1A1KMT2AMAPT
Isopropyldiphenylamine SCHEMBL27697074 0.81 ALDH1A1 (0.50) TAAR1DHFRALDH1A1KMT2AMAPT
Isopropyldiphenylamine SCHEMBL2119060 0.81 ALDH1A1 (0.50) TAAR1DHFRALDH1A1KMT2AMAPT
Isopropyldiphenylamine SCHEMBL2119054 0.81 ALDH1A1 (0.50) TAAR1DHFRALDH1A1KMT2AMAPT
SCHEMBL11476066 0.79 ALDH1A1 (0.53) TAAR1DHFRALDH1A1KMT2AMAPT
Isopropyldiphenylamine SCHEMBL31410717 0.79 ALDH1A1 (0.49) TAAR1DHFRALDH1A1KMT2AMAPT
Isopropyldiphenylamine SCHEMBL29931884 0.79 ALDH1A1 (0.49) TAAR1DHFRALDH1A1KMT2AMAPT
SCHEMBL13338410 0.78 SLC6A2 (0.46) TAAR1DHFRALDH1A1KMT2AMAPT

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 TAAR1 2667/4885DHFR 564/4885ALDH1A1 870/4885
US-20130150390-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS HRH2, TSLP, ENPEP TAAR1 2667/4885DHFR 564/4885ALDH1A1 870/4885
US-20080085910-A1 Glycine Derivative and Use Thereof GNMT, SI, SLC7A11 TAAR1 2441/4885DHFR 325/4885ALDH1A1 1428/4885
US-20090275599-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR MULTIPLE SCLEROSIS PMP22, MGMT, ENPEP TAAR1 3347/4885DHFR 704/4885ALDH1A1 2606/4885
US-20090253724-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR LEUKEMIA MCL1, ENPEP, SLC7A1 TAAR1 4590/4885DHFR 109/4885ALDH1A1 637/4885

“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.