SCHEMBL678574

SCHEMBL678574

CN1CCN(C(=O)CCC(=O)C(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ KMT2A Q03164 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ HPGD P15428 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HTR1A P08908 1/20 0.40
▸ GNAI3 P08754 3/20 0.40
▸ GNAO1 P09471 3/20 0.40
▸ GNAI1 P63096 3/20 0.40
▸ MAPT P10636 1/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ ATM Q13315 1/20 0.38

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
SCHEMBL20780401 0.84 ATM (0.56) SMN1; SMN2KMT2ATDP1HPGDALDH1A1
SCHEMBL26138716 0.83 ALDH1A1 (0.41) HTTSMN1; SMN2KMT2ATDP1HPGD
SCHEMBL20780403 0.79 POLB (0.56) SMN1; SMN2ALDH1A1HSD17B10USP2LMNA
SCHEMBL13439304 0.78 KMT2A (0.45) HTTSMN1; SMN2KMT2ATDP1CYP1A2
SCHEMBL24854624 0.78 ATM (0.58) HTTSMN1; SMN2KMT2ATDP1CYP1A2
SCHEMBL3242393 0.78 SMN1; SMN2 (0.51) HTTSMN1; SMN2KMT2ATDP1CYP1A2
SCHEMBL5842058 0.78 HTT (0.51) HTTSMN1; SMN2KMT2ATDP1CYP1A2
SCHEMBL14254866 0.78 TDP1 (0.54) HTTSMN1; SMN2KMT2ATDP1CYP1A2
Hydrochloric Acid SCHEMBL27078195 0.76 SMN1; SMN2 (0.50) HTTSMN1; SMN2KMT2ATDP1CYP1A2
SCHEMBL15808655 0.76 HTT (0.50) HTTSMN1; SMN2KMT2ATDP1CYP1A2

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-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 — — US disclosed
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 — — US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 — — 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-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 HTT 4100/4885SMN1; SMN2 3499/4885KMT2A 492/4885

“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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