SCHEMBL19327326

SCHEMBL19327326

COc1ccccc1N1CCC(Cc2ccccc2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.53
▸ ATM Q13315 1/20 0.52
▸ SLC6A2 P23975 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ HSD11B1 P28845 2/20 0.49
▸ OPRM1 P35372 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ APOBEC3A P31941 1/20 0.46
▸ APOBEC3G Q9HC16 1/20 0.46
▸ ADRA1D P25100 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ ADRA1B P35368 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ CYP19A1 P11511 1/20 0.44
▸ TSHR P16473 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
SCHEMBL19327290 0.91 ROCK2 (0.54) ROCK2ATMMEN1KMT2AMAPK1
SCHEMBL19327324 0.91 ALDH1A1 (0.50) ROCK2ATMHSD11B1MEN1KMT2A
SCHEMBL19327311 0.85 ATM (0.56) ATMMEN1KMT2A
SCHEMBL19327314 0.82 ATM (0.46) ATMSLC6A2SLC6A4OPRM1SIGMAR1
SCHEMBL19327305 0.80 ATM (0.51) ATMMEN1KMT2A
SCHEMBL19327316 0.79 ATM (0.50) ATMOPRM1SIGMAR1MEN1KMT2A
SCHEMBL19327318 0.79 ATM (0.50) ATMOPRM1SIGMAR1MEN1KMT2A
SCHEMBL19327277 0.79 ATM (0.47) ATMOPRM1SIGMAR1MEN1KMT2A
SCHEMBL19327278 0.79 ATM (0.47) ATMOPRM1SIGMAR1MEN1KMT2A
SCHEMBL19327337 0.78 ATM (0.49) ATMOPRM1SIGMAR1MEN1KMT2A

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 10 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
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
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 ROCK2 3682/4885ATM 3327/4885SLC6A2 4233/4885
US-20170260172-A1 COMPOSITIONS AND METHODS FOR ACYLATING LACTAMS COASY, NAAA, ASNS ROCK2 4039/4885ATM 2679/4885SLC6A2 4368/4885
US-10040784-B2 Compositions and methods for acylating lactams COASY, NAAA, ASNS ROCK2 4039/4885ATM 2679/4885SLC6A2 4368/4885
US-20190077796-A1 COMPOSITIONS AND METHODS FOR ACYLATING LACTAMS COASY, NAAA, ASNS ROCK2 4039/4885ATM 2679/4885SLC6A2 4368/4885

“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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