SCHEMBL17149869

SCHEMBL17149869

CN1CCC(C(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.58
HRH3 Q9Y5N1 3/20 0.58
SMYD3 Q9H7B4 1/20 0.57
PYGL P06737 12/20 0.54
CYP51A1 Q16850 3/20 0.54
HRH1 P35367 1/20 0.52
EGFR P00533 1/20 0.51
PYGM P11217 4/20 0.51

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
SCHEMBL17149920 0.91 PYGL (0.58) SMYD3PYGLCYP51A1EGFR
SCHEMBL18750634 0.86 PYGL (0.53) SMYD3PYGLCYP51A1EGFR
SCHEMBL17149903 0.78 PYGL (0.63) PYGLEGFR
SCHEMBL17149617 0.78 PYGL (0.63) PYGLEGFR
SCHEMBL17149864 0.78 PYGL (0.63) PYGLEGFR
SCHEMBL17149647 0.77 PYGL (0.65) PYGLEGFR
SCHEMBL17149853 0.77 PYGL (0.65) PYGLEGFR
Hydrochloric Acid SCHEMBL5891475 0.77 CYP51A1 (0.79) PYGLCYP51A1PYGM
SCHEMBL18766997 0.76 PYGL (0.51) SMYD3PYGLCYP51A1EGFR
SCHEMBL18750660 0.76 SMYD3 (0.60) HRH4HRH3SMYD3PYGLCYP51A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10858319-B2 Indole derivatives for use in medicine IOMET PHARMA LTD. (GB) 2020-12-08 US disclosed
US-20190084933-A1 INDOLE DERIVATIVES FOR USE IN MEDICINE IOMET PHARMA LTD. (GB) 2019-03-21 US disclosed
US-10167257-B2 Indole derivatives for use in medicine IOMET PHARMA LTD. (GB) 2019-01-01 US disclosed
US-20170107178-A1 INDOLE DERIVATIVES FOR USE IN MEDICINE IOMET PHARMA LTD. (GB) 2017-04-20 US disclosed
US-20170107178-A1 INDOLE DERIVATIVES FOR USE IN MEDICINE IOMET PHARMA LTD. (GB) 2017-04-20 US disclosed
WO-2015150097-A1 INDOLE DERIVATIVES FOR USE IN MEDICINE IOMET PHARMA LTD (GB) 2015-10-08 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 (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-10858319-B2 Indole derivatives for use in medicine IDO1, IDO2, TDO2 HRH4 64/4885HRH3 111/4885SMYD3 1984/4885
US-10167257-B2 Indole derivatives for use in medicine IDO1, IDO2, TDO2 HRH4 67/4885HRH3 111/4885SMYD3 1961/4885
US-20170107178-A1 INDOLE DERIVATIVES FOR USE IN MEDICINE IDO1, IDO2, TDO2 HRH4 67/4885HRH3 111/4885SMYD3 1961/4885
US-20190084933-A1 INDOLE DERIVATIVES FOR USE IN MEDICINE IDO1, IDO2, TDO2 HRH4 72/4885HRH3 128/4885SMYD3 2111/4885

“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.