SCHEMBL18999645

SCHEMBL18999645

CC(C)c1cc(C(C)C)cc(N(C)CCN(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 1/20 0.35
▸ HTR1B P28222 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ HTR2A P28223 2/20 0.32
▸ HRH1 P35367 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL22607273 0.89 NOS1 (0.35) HTR1DHTR1BCYP1A2CYP2D6KDM4E
SCHEMBL13130561 0.83 TACR1 (0.39) HRH3
SCHEMBL22087923 0.81 KDM4E (0.43) HTR1DHTR1BCYP1A2CYP2D6HPGD
SCHEMBL13436334 0.80 CHRNB2 (0.32) HTR1DHTR1BCYP2D6HRH1KDM4E
SCHEMBL12648604 0.79 HPGD (0.42) HTR1DHTR1BHPGDHTR2AHRH1
SCHEMBL18999636 0.72 TSHR (0.39) CYP1A2CYP2D6KDM4EALDH1A1LMNA
SCHEMBL19006935 0.71 NOS1 (0.41) CYP1A2CYP2D6KDM4EALDH1A1SMN1; SMN2
SCHEMBL24737228 0.70 HDAC4 (0.44) HPGDHTR2AHRH1ALDH1A1
SCHEMBL22607366 0.68 LMNA (0.44) HTR1DHTR1BHPGDKDM4EALDH1A1
SCHEMBL18999634 0.68 HTR1D (0.40) HTR1DHTR1BHPGDHTR2AHRH1

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-20230039309-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-02-09 — — US disclosed
US-11208415-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2021-12-28 — — US disclosed
EP-3122353-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2020-10-28 — — EP disclosed
US-20200140447-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2020-05-07 — — US disclosed
US-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2017-06-22 — — US disclosed
US-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2017-06-22 — — 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 (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-20200140447-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 HTR1D 1988/4885HTR1B 1646/4885CYP1A2 3383/4885
US-20230039309-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 HTR1D 1988/4885HTR1B 1646/4885CYP1A2 3383/4885
US-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 HTR1D 1988/4885HTR1B 1646/4885CYP1A2 3383/4885
US-11208415-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL3 HTR1D 1988/4885HTR1B 1646/4885CYP1A2 3383/4885

“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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