SCHEMBL12036614

SCHEMBL12036614

CCN1CC(=O)N2[C@@H](c3ccccc3)C(=O)N(C3CCCCC3)C[C@@H]2N1C(=O)NCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.40
▸ GAA P10253 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ TP53 P04637 2/20 0.39
▸ TSHR P16473 3/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ MAPT P10636 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RAB9A P51151 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
SCHEMBL14620327 0.94 ALDH1A1 (0.46) LMNAHTTSMN1; SMN2ALDH1A1GAA
SCHEMBL14629393 0.91 LMNA (0.44) LMNAHTTSMN1; SMN2HRH3ALDH1A1
SCHEMBL747655 0.90 LMNA (0.47) LMNAHTTSMN1; SMN2HRH3ALDH1A1
SCHEMBL13708749 0.90 LMNA (0.47) LMNAHTTSMN1; SMN2HRH3ALDH1A1
SCHEMBL747148 0.90 LMNA (0.46) LMNAHTTSMN1; SMN2HRH3ALDH1A1
SCHEMBL747948 0.89 LMNA (0.46) LMNAHTTSMN1; SMN2HRH3ALDH1A1
SCHEMBL745759 0.89 LMNA (0.44) LMNAHTTSMN1; SMN2HRH3ALDH1A1
SCHEMBL13184737 0.88 CYP3A4 (0.47) LMNAHTTSMN1; SMN2CYP3A4
SCHEMBL12037723 0.87 LMNA (0.46) LMNAHTTSMN1; SMN2HRH3ALDH1A1
SCHEMBL12036613 0.87 LMNA (0.46) LMNAHTTSMN1; SMN2HRH3ALDH1A1

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-20110294797-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2011-12-01 — — US disclosed
US-20110257185-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2011-10-20 — — US disclosed
US-20100222303-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2010-09-02 — — US disclosed
US-20100029630-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO Chongwae Pharma Corporation (KR) 2010-02-04 — — 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-20100222303-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO WNT1, WNT3, APC LMNA 2855/4885HTT 1393/4885SMN1; SMN2 4621/4885
US-20100029630-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO WNT1, APC, WNT3 LMNA 2967/4885HTT 622/4885SMN1; SMN2 4611/4885
US-20110257185-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO WNT1, APC, WNT3 LMNA 2967/4885HTT 622/4885SMN1; SMN2 4611/4885
US-20110294797-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO WNT1, APC, WNT3 LMNA 2967/4885HTT 622/4885SMN1; SMN2 4611/4885

“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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