SCHEMBL2908098

SCHEMBL2908098

CN1CCNC(c2ccccc2)C1C(=O)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.37
POLB P06746 1/20 0.36
RIPK1 Q13546 2/20 0.35
P2RX7 Q99572 1/20 0.34
ADRB1 P08588 1/20 0.34
TACR1 P25103 5/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
GBA1 P04062 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
TSHR P16473 2/20 0.33
ESR1 P03372 1/20 0.33

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
SCHEMBL27743375 0.84 POLB (0.40) POLBRIPK1P2RX7CHRNB2CHRNB4
SCHEMBL2913724 0.82 POLB (0.42) POLBRIPK1CHRNB2CHRNB4CHRNA3
SCHEMBL2915821 0.80 ADRB1 (0.40) POLBADRB1ALDH1A1MEN1MAPT
SCHEMBL2908423 0.79 KMT2A (0.40) POLBRIPK1ADRB1ALDH1A1TSHR
SCHEMBL2911565 0.77 SLC18A3 (0.39) POLBRIPK1ALDH1A1TSHRMEN1
SCHEMBL3926373 0.73 RPS6KB1 (0.39) POLB
SCHEMBL8430935 0.70 TACR1 (0.50) TACR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL8530408 0.70 HTR2C (0.44) TACR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL3923843 0.69 RPS6KB1 (0.38) ALDH1A1KMT2A
Formamide SCHEMBL28989148 0.69 HTR1A (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101472901-B Stereoselective synthesis of -1-methyl-3-phenylpiperazine ORGANON NV 2011-08-03 CN disclosed
EP-2038260-B1 STEREOSELECTIVE SYNTHESIS OF (S)-1-METHYL-3-PHENYLPIPERAZINE ORGANON NV (NL) 2010-09-01 EP disclosed
US-20100036126-A1 STEREOSELECTIVE SYNTHESIS OF (S)-1-METHYL-3-PHENYLPIPERAZINE N.V. ORGANON (NL) 2010-02-11 US disclosed
CN-101472901-A Stereoselective synthesis of -1-methyl-3-phenylpiperazine ORGANON NV (NL) 2009-07-01 CN disclosed
EP-2038260-A1 STEREOSELECTIVE SYNTHESIS OF (S)-1-METHYL-3-PHENYLPIPERAZINE N.V. Organon (NL) 2009-03-25 EP disclosed
WO-2007144409-A1 STEREOSELECTIVE SYNTHESIS OF (S)-1-METHYL-3-PHENYLPIPERAZINE N.V. ORGANON (NL) 2007-12-21 WO 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-20100036126-A1 STEREOSELECTIVE SYNTHESIS OF (S)-1-METHYL-3-PHENYLPIPERAZINE THOP1, PRSS1, DPEP1 KDM1A 278/4885POLB 613/4885RIPK1 1564/4885

“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.