SCHEMBL19327293

SCHEMBL19327293

COc1ccccc1N1CCC(C)C1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.63
ALDH1A1 P00352 3/20 0.56
POLB P06746 2/20 0.56
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MGLL Q99685 1/20 0.47
SIGMAR1 Q99720 2/20 0.46
OPRM1 P35372 1/20 0.46
DRD2 P14416 3/20 0.46
DRD3 P35462 2/20 0.46
HTR6 P50406 2/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
ADRB1 P08588 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
HTR1A P08908 1/20 0.44
HTR2A P28223 1/20 0.44

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
SCHEMBL12017418 1.00 ATM (0.63) ATMALDH1A1POLBMEN1KMT2A
SCHEMBL19339950 0.83 ATM (0.46) ATMALDH1A1POLBDRD2HTR1A
SCHEMBL8567660 0.83 ATM (0.58) ATMALDH1A1POLBMEN1KMT2A
SCHEMBL19858919 0.83 ATM (0.58) ATMALDH1A1POLBMEN1KMT2A
SCHEMBL8567665 0.83 ATM (0.58) ATMALDH1A1POLBMEN1KMT2A
SCHEMBL19340062 0.81 SMN1; SMN2 (0.50) ATMALDH1A1POLBMEN1KMT2A
SCHEMBL19327311 0.80 ATM (0.56) ATMALDH1A1POLBMEN1KMT2A
SCHEMBL22147747 0.80 GAA (0.56) ATMALDH1A1MEN1KMT2AOPRM1
SCHEMBL12015724 0.80 L3MBTL1 (0.50) ATMALDH1A1MEN1KMT2AMGLL
SCHEMBL892661 0.79 ATM (0.54) ATMALDH1A1POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11124503-B2 Compositions and methods for acylating lactams CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-09-21 US disclosed
US-11124503-B2 Compositions and methods for acylating lactams CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-09-21 US disclosed
US-20190077796-A1 COMPOSITIONS AND METHODS FOR ACYLATING LACTAMS CALIFORNIA INSTITUTE OF TECHNOLOGY 2019-03-14 US disclosed
US-20190077796-A1 COMPOSITIONS AND METHODS FOR ACYLATING LACTAMS CALIFORNIA INSTITUTE OF TECHNOLOGY 2019-03-14 US disclosed
EP-3426391-A1 COMPOSITIONS AND METHODS FOR ACYLATING LACTAMS California Institute of Technology (US) 2019-01-16 EP disclosed
US-10040784-B2 Compositions and methods for acylating lactams CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-08-07 US disclosed
US-10040784-B2 Compositions and methods for acylating lactams CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-08-07 US disclosed
US-10040784-B2 Compositions and methods for acylating lactams CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-08-07 US disclosed
US-20170260172-A1 COMPOSITIONS AND METHODS FOR ACYLATING LACTAMS CALIFORNIA INSTITUTE OF TECHNOLOGY 2017-09-14 US disclosed
WO-2017156239-A1 COMPOSITIONS AND METHODS FOR ACYLATING LACTAMS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-09-14 WO disclosed
US-20170260172-A1 COMPOSITIONS AND METHODS FOR ACYLATING LACTAMS CALIFORNIA INSTITUTE OF TECHNOLOGY 2017-09-14 US disclosed
US-20170260172-A1 COMPOSITIONS AND METHODS FOR ACYLATING LACTAMS CALIFORNIA INSTITUTE OF TECHNOLOGY 2017-09-14 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-11124503-B2 Compositions and methods for acylating lactams COASY, ASNS, NAAA ATM 3327/4885ALDH1A1 894/4885POLB 2826/4885
US-20170260172-A1 COMPOSITIONS AND METHODS FOR ACYLATING LACTAMS COASY, NAAA, ASNS ATM 2679/4885ALDH1A1 1884/4885POLB 2427/4885
US-10040784-B2 Compositions and methods for acylating lactams COASY, NAAA, ASNS ATM 2679/4885ALDH1A1 1884/4885POLB 2427/4885
US-20190077796-A1 COMPOSITIONS AND METHODS FOR ACYLATING LACTAMS COASY, NAAA, ASNS ATM 2679/4885ALDH1A1 1884/4885POLB 2427/4885

“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.