SCHEMBL14263740

SCHEMBL14263740

Cc1ccc(-c2cc(C(C)C)n(C)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHGDH O43175 2/20 0.46
▸ NPC1 O15118 7/20 0.44
▸ RAB9A P51151 7/20 0.44
▸ SMN1; SMN2 Q16637 7/20 0.44
▸ MAPT P10636 7/20 0.44
▸ ALDH1A1 P00352 6/20 0.44
▸ STAT1 P42224 1/20 0.44
▸ KMT2A Q03164 6/20 0.44
▸ MEN1 O00255 5/20 0.44
▸ TP53 P04637 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ ESRRA P11474 1/20 0.43
▸ KDM4E B2RXH2 5/20 0.42
▸ LMNA P02545 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 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
SCHEMBL21927844 0.86 PHGDH (0.42) PHGDHNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4547930 0.85 PHGDH (0.49) PHGDHRAB9AMAPTKMT2ACYP11B1
SCHEMBL19203749 0.84 MAPT (0.48) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL11965497 0.84 MAPT (0.45) PHGDHNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL19105638 0.82 GSK3B (0.41) PHGDHGAACYP11B1CYP11B2
SCHEMBL14996633 0.81 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL11886210 0.78 KMO (0.43) PHGDHMAPTKMT2ACYP2C19CYP1A2
SCHEMBL13974502 0.76 MAPT (0.66) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL23329066 0.75 TMEM97 (0.44) PHGDHNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL21233325 0.75 PHGDH (0.35) PHGDHCYP11B1CYP11B2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 — — US disclosed
US-9630947-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-25 — — US disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 — — US disclosed
US-9073890-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 — — US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 — — US disclosed
US-20080070895-A1 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase COLLINS IAN J 2008-03-20 — — US disclosed
US-7282513-B2 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase MERCK SHARP & DOHME LIMITED (GB) 2007-10-16 — — 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 (4 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-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA PHGDH 1290/4885NPC1 2700/4885RAB9A 1231/4885
US-20080070895-A1 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase BACE1, BACE2, PSEN1 PHGDH 1751/4885NPC1 1347/4885RAB9A 1977/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG PHGDH 1407/4885NPC1 2982/4885RAB9A 1248/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA PHGDH 1290/4885NPC1 2700/4885RAB9A 1231/4885

“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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