SCHEMBL16559754

SCHEMBL16559754

CCCN(C)Cc1cccc(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.40
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ GRIN3A Q8TCU5 1/20 0.40
▸ CARM1 Q86X55 1/20 0.40
▸ PRMT6 Q96LA8 1/20 0.40
▸ PRMT8 Q9NR22 1/20 0.40
▸ CYP2D6 P10635 2/20 0.39
▸ ACHE P22303 2/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39

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
SCHEMBL13918966 0.87 ALDH1A1 (0.47) SIGMAR1TMEM97CARM1PRMT6PRMT8
SCHEMBL18138029 0.85 MEN1 (0.52) SIGMAR1CARM1PRMT6PRMT8LMNA
SCHEMBL16562304 0.85 MEN1 (0.49) SIGMAR1TMEM97CARM1PRMT6PRMT8
SCHEMBL13336035 0.83 KDM4E (0.43) SIGMAR1TMEM97CYP2D6ACHENR1I2
SCHEMBL4678470 0.80 CYP2C19 (0.52) ACHELMNATSHRALDH1A1CYP2C19
SCHEMBL10223554 0.79 SIGMAR1 (0.58) SIGMAR1
SCHEMBL12163330 0.77 BCHE (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15706266 0.77 CYP1A2 (0.41) SIGMAR1CYP2D6ACHENR1I2LMNA
SCHEMBL18138028 0.77 CYP2D6 (0.57) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17300702 0.76 ACHE (0.42) SIGMAR1TMEM97ACHEHIF1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988386-B2 Compounds for treatment of diseases of abnormal angiogenesis or aberrant growth factors and uses thereof Kata Pharmaceuticals, Inc. (US) 2018-06-05 — — US disclosed
US-20180037573-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2018-02-08 — — US disclosed
US-20180037572-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2018-02-08 — — US disclosed
US-9802922-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2017-10-31 — — US disclosed
US-20170129876-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2017-05-11 — — US disclosed
US-20160137646-A1 Novel Compounds and Uses Thereof KALA PHARMACEUTICALS, INC. (US) 2016-05-19 — — US disclosed
US-9212145-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2015-12-15 — — US disclosed
US-20150072986-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2015-03-12 — — 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-20150072986-A1 UREA DERIVATIVES AND USES THEREOF UACA, RB1, FLT1 SIGMAR1 3645/4885TMEM97 2372/4885GRIN2D 4880/4885
US-20160137646-A1 Novel Compounds and Uses Thereof RB1, VEGFA, UACA SIGMAR1 4247/4885TMEM97 3473/4885GRIN2D 4817/4885
US-20180037572-A1 UREA DERIVATIVES AND USES THEREOF UACA, RB1, FLT1 SIGMAR1 3645/4885TMEM97 2372/4885GRIN2D 4880/4885
US-20180037573-A1 UREA DERIVATIVES AND USES THEREOF UACA, RB1, FLT1 SIGMAR1 3645/4885TMEM97 2372/4885GRIN2D 4880/4885
US-20170129876-A1 UREA DERIVATIVES AND USES THEREOF UACA, RB1, FLT1 SIGMAR1 3645/4885TMEM97 2372/4885GRIN2D 4880/4885

“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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