SCHEMBL18201257

SCHEMBL18201257

C#CCC[C@H]1c2c(c3ccccc3n2[Si](C)(C)C(C)(C)C)CCN1C(=O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ MTNR1B P49286 1/20 0.33
▸ HDAC6 Q9UBN7 3/20 0.32
▸ HDAC1 Q13547 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ AKR1B10 O60218 1/20 0.31
▸ AKR1B1 P15121 1/20 0.31
▸ RBP4 P02753 1/20 0.31
▸ PDE1A P54750 1/20 0.30

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
SCHEMBL20186695 0.88 ABCB1 (0.38) ABCB1ABCG2MTNR1BHDAC6HDAC1
SCHEMBL20186810 0.88 AKR1B10 (0.33) MTNR1BKDM4EAKR1B10AKR1B1
SCHEMBL20186663 0.84 ABCG2 (0.41) ABCB1ABCG2
SCHEMBL20186640 0.76 NOD1 (0.36) —
SCHEMBL20186802 0.74 HSD17B10 (0.31) KDM4E
SCHEMBL20204833 0.73 MEN1 (0.52) ABCB1ABCG2KDM4E
SCHEMBL18201331 0.73 MEN1 (0.52) ABCB1ABCG2KDM4E
SCHEMBL20200994 0.68 SLC6A4 (0.42) ABCB1ABCG2KDM4E
SCHEMBL20186647 0.68 HTR6 (0.37) KDM4E
SCHEMBL20186744 0.62 HTR2A (0.39) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10253024-B2 Polycyclic indoline and indolenine compounds THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2019-04-09 — — US disclosed
US-20180148442-A1 Polycyclic Indoline and Indolenine Compounds THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2018-05-31 — — US disclosed
US-20180148442-A1 Polycyclic Indoline and Indolenine Compounds THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2018-05-31 — — US disclosed
WO-2016176634-A1 POLYCYCLIC INDOLINE AND INDOLENINE COMPOUNDS THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2016-11-03 — — WO 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 (2 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-10253024-B2 Polycyclic indoline and indolenine compounds IDO1, IDO2, INMT ABCB1 736/4885ABCG2 1597/4885MTNR1B 57/4885
US-20180148442-A1 Polycyclic Indoline and Indolenine Compounds IDO1, IDO2, INMT ABCB1 736/4885ABCG2 1597/4885MTNR1B 57/4885

“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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