SCHEMBL12873643

SCHEMBL12873643

CC(C)N(Cc1ccncc1)c1ncccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 4/20 0.40
▸ CYP2C9 P11712 3/20 0.38
▸ CYP2C19 P33261 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP19A1 P11511 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ CHRM5 P08912 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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 0.87 ALDH1A1 (0.46) TAAR1CYP1A2CYP3A4LMNAMEN1
SCHEMBL12873577 0.81 CHRNB2 (0.56) CYP1A2CYP2D6LMNAALDH1A1
SCHEMBL12873574 0.80 LMNA (0.56) TAAR1CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL14099272 0.75 SCN1A (0.40) CYP19A1LMNAMAPTKMT2ATSHR
SCHEMBL12888743 0.75 HDAC1 (0.49) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL12873653 0.74 TDP1 (0.53) TAAR1CYP2C19CYP1A2LMNAMAPT
SCHEMBL12088917 0.72 ADRA2B (0.42) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL7844346 0.71 TAAR1 (0.58) TAAR1CYP2C19CYP1A2CYP2D6LMNA
SCHEMBL12873564 0.71 TAAR1 (0.36) TAAR1CYP2D6MEN1MAPTKMT2A
SCHEMBL27587590 0.71 LOXL2 (0.43) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6

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 2667/4885CYP2C9 3461/4885CYP2C19 2339/4885
US-20130150390-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS HRH2, TSLP, ENPEP TAAR1 2667/4885CYP2C9 3461/4885CYP2C19 2339/4885
US-20080085910-A1 Glycine Derivative and Use Thereof GNMT, SI, SLC7A11 TAAR1 2441/4885CYP2C9 231/4885CYP2C19 189/4885
US-20090275599-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR MULTIPLE SCLEROSIS PMP22, MGMT, ENPEP TAAR1 3347/4885CYP2C9 3880/4885CYP2C19 3441/4885
US-20090253724-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR LEUKEMIA MCL1, ENPEP, SLC7A1 TAAR1 4590/4885CYP2C9 2016/4885CYP2C19 1330/4885

“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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