SCHEMBL12873577

SCHEMBL12873577

CC(C)N(Cc1cccnc1)c1ncccn1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 4/20 0.56
▸ CHRNA4 P43681 4/20 0.56
▸ LMNA P02545 2/20 0.46
▸ CHRNA7 P36544 1/20 0.45
▸ GRM2 Q14416 3/20 0.44
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ RIPK1 Q13546 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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 0.82 ALDH1A1 (0.46) LMNACYP1A2ALDH1A1KDM4E
SCHEMBL12873643 0.81 TAAR1 (0.40) LMNACYP1A2CYP2D6ALDH1A1
SCHEMBL12888668 0.77 CHRNB2 (0.67) CHRNB2CHRNA4LMNACHRNA7CYP1A2
SCHEMBL12089140 0.77 CHRNB2 (0.67) CHRNB2CHRNA4LMNACHRNA7GRM2
SCHEMBL27258621 0.76 CHRNB2 (0.59) CHRNB2CHRNA4LMNACHRNA7GRM2
SCHEMBL27771997 0.76 CHRNB2 (0.59) CHRNB2CHRNA4LMNACHRNA7GRM2
SCHEMBL19750347 0.73 CHRNB2 (0.56) CHRNB2CHRNA4LMNACHRNA7GRM2
SCHEMBL10028665 0.72 CHRNB2 (0.85) CHRNB2CHRNA4LMNACHRNA7CYP1A2
SCHEMBL30632262 0.72 CHRNB2 (1.00) CHRNB2CHRNA4LMNACHRNA7CYP1A2
SCHEMBL3460939 0.72 CHRNB2 (1.00) CHRNB2CHRNA4LMNACHRNA7CYP1A2

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 CHRNB2 3069/4885CHRNA4 3285/4885LMNA 3593/4885
US-20130150390-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS HRH2, TSLP, ENPEP CHRNB2 3069/4885CHRNA4 3285/4885LMNA 3593/4885
US-20080085910-A1 Glycine Derivative and Use Thereof GNMT, SI, SLC7A11 CHRNB2 4782/4885CHRNA4 4824/4885LMNA 3544/4885
US-20090275599-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR MULTIPLE SCLEROSIS PMP22, MGMT, ENPEP CHRNB2 1641/4885CHRNA4 1516/4885LMNA 2124/4885
US-20090253724-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR LEUKEMIA MCL1, ENPEP, SLC7A1 CHRNB2 4864/4885CHRNA4 4848/4885LMNA 816/4885

“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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