SCHEMBL16998574

SCHEMBL16998574

CCc1cccc(C)c1N1C[C@H]1CC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ GABRA1 P14867 2/20 0.34
▸ GABRB2 P47870 2/20 0.34
▸ TSHR P16473 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ C5AR1 P21730 2/20 0.33
▸ FFAR1 O14842 2/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ANPEP P15144 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ AADAT Q8N5Z0 1/20 0.32

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
SCHEMBL19019196 1.00 KMT2A (0.39) KMT2AMEN1CRHBPCRHR2GABRA1
SCHEMBL15515518 0.84 MEN1 (0.36) KMT2AMEN1CRHBPCRHR2GABRA1
SCHEMBL15515519 0.84 MEN1 (0.36) KMT2AMEN1CRHBPCRHR2GABRA1
SCHEMBL21287875 0.72 ALDH1A1 (0.42) KMT2AMEN1TDP1C5AR1MAPT
SCHEMBL30302476 0.67 MGLL (0.56) KMT2AMEN1CRHBPCRHR2GABRA1
SCHEMBL3674228 0.67 MGLL (0.56) KMT2AMEN1CRHBPCRHR2GABRA1
Methane SCHEMBL28428548 0.66 MGLL (0.55) KMT2AMEN1CRHBPCRHR2GABRA1
SCHEMBL2840556 0.64 L3MBTL1 (0.51) KMT2AMEN1CRHBPCRHR2POLB
SCHEMBL29431569 0.64 L3MBTL1 (0.51) KMT2AMEN1CRHBPCRHR2POLB
SCHEMBL29381488 0.64 DPP4 (0.56) KMT2AMEN1CRHBPCRHR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199930-B2 Process for the preparation of (S)-2-ethyl-N-(1-methoxypropan-2-yl)-6-methyl aniline COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-12-01 — — US disclosed
US-20150225340-A1 PROCESS FOR THE PREPARATION OF (S)-2-ETHYL-N-(1-METHOXYPROPAN -2-YL)-6-METHYL ANILINE COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-08-13 — — 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 (1 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-20150225340-A1 PROCESS FOR THE PREPARATION OF (S)-2-ETHYL-N-(1-METHOXYPROPAN -2-YL)-6-METHYL ANILINE AZI2, HTR2A, HTR1B KMT2A 215/4885MEN1 1088/4885CRHBP 4461/4885

“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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