SCHEMBL12847892

SCHEMBL12847892

CNC(=O)CCNCCC1CCCN1C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.44
ALDH1A1 P00352 1/20 0.43
TERT O14746 1/20 0.39
CYP1A2 P05177 1/20 0.38
CHRM4 P08173 1/20 0.38
OPRD1 P41143 1/20 0.36
GLS O94925 1/20 0.36
CHRM3 P20309 1/20 0.36
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36
POLR1A O95602 1/20 0.36

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
SCHEMBL22277150 0.86 ACKR3 (0.45) ACKR3ALDH1A1TERTCYP1A2CHRM3
SCHEMBL12847853 0.82 ALDH1A1 (0.43) ACKR3ALDH1A1CYP1A2CHRM3
SCHEMBL10244794 0.79 CHRNB2 (0.41) ALDH1A1CYP1A2
SCHEMBL12847891 0.78 ACKR3 (0.38) ACKR3ALDH1A1TERTCYP1A2CHRM3
SCHEMBL23354623 0.76 ALDH1A1 (0.46) ACKR3ALDH1A1CYP1A2CHRM4CHRM3
SCHEMBL13927674 0.75 ALDH1A1 (0.48) ACKR3ALDH1A1CYP1A2
SCHEMBL27257877 0.75 ACKR3 (0.56) ACKR3ALDH1A1TERTCYP1A2CHRM4
SCHEMBL9869886 0.74 ALDH1A1 (0.53) ALDH1A1CYP1A2
SCHEMBL12156865 0.74 ACKR3 (0.52) ACKR3ALDH1A1TERTCYP1A2CHRM4
SCHEMBL13202524 0.73 ALDH1A1 (0.56) ALDH1A1CYP1A2

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-20160009657-A1 AMINE-CONTAINING LIPIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-01-14 US disclosed
US-9006487-B2 Amine-containing lipids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-04-14 US disclosed
US-20110052673-A1 THERAPEUTIC COMPOSITIONS SHIRE HUMAN GENETIC THERAPIES, INC. 2011-03-03 US disclosed
US-20110009641-A1 Amine-containing lipids and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-01-13 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 (3 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-20110052673-A1 THERAPEUTIC COMPOSITIONS PHOSPHO1, SGMS1, APOB ACKR3 3758/4885ALDH1A1 2111/4885TERT 1453/4885
US-20110009641-A1 Amine-containing lipids and uses thereof PHOSPHO1, CHMP4B, SGMS1 ACKR3 2602/4885ALDH1A1 1430/4885TERT 1952/4885
US-20160009657-A1 AMINE-CONTAINING LIPIDS AND USES THEREOF PHOSPHO1, CHMP4B, SGMS1 ACKR3 2602/4885ALDH1A1 1430/4885TERT 1952/4885

“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.