SCHEMBL7181036

SCHEMBL7181036

O=C(O)CCN1CCN(c2ccccn2)CC1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 5/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ HPGD P15428 3/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.50
▸ HTR7 P34969 1/20 0.47
▸ HTR1A P08908 2/20 0.47
▸ POLB P06746 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ DRD4 P21917 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ KDM6B O15054 1/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ NPC1 O15118 1/20 0.42

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
SCHEMBL2116079 0.78 MEN1 (0.49) ALDH1A1HTR7HTR1ADRD4SMN1; SMN2
SCHEMBL5009465 0.75 HTR1A (0.78) HSD17B10KDM4EHPGDCYP3A4CYP2C9
SCHEMBL2115137 0.72 MITF (0.57) ALDH1A1NPSR1LMNA
SCHEMBL20236389 0.70 POLB (0.43) CYP3A4CYP2C9ALDH1A1HTR1APOLB
Hydrochloric Acid SCHEMBL4766854 0.70 ALDH1A1 (0.57) ALDH1A1NPSR1LMNA
SCHEMBL7362098 0.69 KDM4E (1.00) HSD17B10KDM4EHPGDCYP3A4CYP2C9
SCHEMBL1025882 0.68 KDM4E (0.53) HSD17B10KDM4EHPGDCYP3A4CYP2C9
SCHEMBL6352572 0.68 DRD4 (0.72) CYP3A4CYP2C9HTR7HTR1ADRD4
SCHEMBL1025311 0.67 KDM4E (0.52) HSD17B10KDM4EHPGDCYP3A4CYP2C9
SCHEMBL5174282 0.67 NPSR1 (0.71) HSD17B10KDM4EHPGDCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030073698-A1 Nitrogen-based camptothecin derivatives US ARMY, SECRETARY OF THE ARMY 2003-04-17 — — US disclosed
US-6403604-B1 ANTITUMOR CALIFORNIA PACIFIC MEDICAL CENTER 2002-06-11 — — 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-20030073698-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 HSD17B10 2250/4885KDM4E 2741/4885HPGD 197/4885

“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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