SCHEMBL20782144

SCHEMBL20782144

CC(C)(C)C1(CC#N)CCN(Cc2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 1/20 0.47
▸ CHRM3 P20309 2/20 0.43
▸ DRD4 P21917 2/20 0.43
▸ DRD2 P14416 2/20 0.43
▸ OPRM1 P35372 1/20 0.43
▸ DRD1 P21728 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ AMPD2 Q01433 1/20 0.40
▸ CHRM4 P08173 2/20 0.40

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
SCHEMBL20782095 0.88 KCNH2 (0.42) MEN1KMT2ASIGMAR1KCNH2ALDH1A1
SCHEMBL20782047 0.88 SIGMAR1 (0.55) DRD2MEN1KMT2ASIGMAR1KCNH2
SCHEMBL20782145 0.86 ALDH1A1 (0.55) KCNH2ALDH1A1TSHR
SCHEMBL19567532 0.84 CXCR3 (0.46) CXCR3CHRM3DRD4DRD2OPRM1
SCHEMBL20781754 0.84 ALDH1A1 (0.52) MEN1KMT2AALDH1A1TSHR
SCHEMBL20782064 0.84 CXCR3 (0.46) CXCR3CHRM3DRD4DRD2OPRM1
SCHEMBL20782009 0.83 ALDH1A1 (0.55) SIGMAR1KCNH2ALDH1A1
SCHEMBL20781761 0.81 SIGMAR1 (0.52) CHRM3DRD2OPRM1MEN1KMT2A
SCHEMBL20782262 0.81 TACR1 (0.48) CHRM3DRD4DRD2ALDH1A1
SCHEMBL20781756 0.81 HTR2A (0.43) OPRM1SIGMAR1KCNH2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 — — US disclosed
US-20210179564-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-17 — — US disclosed
US-20190071404-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-03-07 — — 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 (3 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-20190071404-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 CXCR3 345/4885CHRM3 4680/4885DRD4 4881/4885
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 CXCR3 345/4885CHRM3 4680/4885DRD4 4881/4885
US-20210179564-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 CXCR3 345/4885CHRM3 4680/4885DRD4 4881/4885

“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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