SCHEMBL13149947

SCHEMBL13149947

Cc1cc(C(=O)N2CCN(CCCc3ccccc3)CC2)no1

nearest known ligand 0.87

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.61
▸ THRB P10828 1/20 0.61
▸ SIGMAR1 Q99720 5/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ FAAH O00519 1/20 0.52
▸ KCNH2 Q12809 1/20 0.51

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
SCHEMBL13178368 0.82 TSHR (0.55) TSHRTHRBALDH1A1KMT2A
SCHEMBL13600599 0.80 TSHR (0.53) TSHRTHRBSMN1; SMN2ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL11788319 0.79 SIGMAR1 (0.60) SIGMAR1SMN1; SMN2ALDH1A1KMT2AKDM4E
SCHEMBL13600643 0.79 TSHR (0.52) TSHRTHRBALDH1A1KMT2AKDM4E
Hydrochloric Acid SCHEMBL11788552 0.78 MEN1 (0.60) SIGMAR1ALDH1A1KMT2AKDM4EMEN1
Hydrochloric Acid SCHEMBL11787701 0.78 SIGMAR1 (0.62) SIGMAR1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL13149940 0.77 TSHR (0.53) TSHRTHRBALDH1A1KMT2AKDM4E
SCHEMBL15961276 0.77 SIGMAR1 (0.91) SIGMAR1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL18390528 0.77 TSHR (0.60) TSHRTHRBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL13149735 0.77 SIGMAR1 (0.57) SIGMAR1ALDH1A1KMT2AKDM4EMEN1

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-20130072497-A1 N- SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2013-03-21 — — US disclosed
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2013-03-21 — — US disclosed
US-8338430-B2 N-substituted piperazines DOW AGROSCIENCES, LLC. (US) 2012-12-25 — — US disclosed
US-8338430-B2 N-substituted piperazines DOW AGROSCIENCES, LLC. (US) 2012-12-25 — — US disclosed
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2010-09-16 — — US disclosed
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2010-09-16 — — US disclosed
US-7754724-B2 N-substituted piperazines DOW AGROSCIENCES LLC (US) 2010-07-13 — — US disclosed
US-7754724-B2 N-substituted piperazines DOW AGROSCIENCES LLC (US) 2010-07-13 — — US disclosed
US-20070004750-A1 N-substituted piperazines CORTEVA AGRISCIENCE LLC 2007-01-04 — — US disclosed
US-20070004750-A1 N-substituted piperazines CORTEVA AGRISCIENCE LLC 2007-01-04 — — 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 (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-20070004750-A1 N-substituted piperazines PRXL2A, CNPY2, CYP4X1 TSHR 1387/4885THRB 3014/4885SIGMAR1 251/4885
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 TSHR 1387/4885THRB 3014/4885SIGMAR1 251/4885
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 TSHR 1387/4885THRB 3014/4885SIGMAR1 251/4885

“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.

Send feedback