SCHEMBL234735

SCHEMBL234735

C[C@H]1CN(c2ccccn2)CCN1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 1/20 0.60
PRKCQ Q04759 3/20 0.53
PRKCD Q05655 1/20 0.53
HDAC1 Q13547 1/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GRM1 Q13255 3/20 0.46
ACVR1 Q04771 1/20 0.46
CSNK1E P49674 1/20 0.46

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
SCHEMBL31745447 1.00 PLD1 (0.60) PLD1PRKCQPRKCDHDAC1ALDH1A1
SCHEMBL2244221 1.00 PLD1 (0.60) PLD1PRKCQPRKCDHDAC1ALDH1A1
SCHEMBL709716 1.00 PLD1 (0.60) PLD1PRKCQPRKCDHDAC1ALDH1A1
Bromide SCHEMBL4002506 0.98 PLD1 (0.58) PLD1PRKCQPRKCDHDAC1ALDH1A1
Bromide SCHEMBL4002504 0.98 PLD1 (0.58) PLD1PRKCQPRKCDHDAC1ALDH1A1
Hydrochloric Acid SCHEMBL31046391 0.98 PLD1 (0.58) PLD1PRKCQPRKCDHDAC1ALDH1A1
SCHEMBL30146642 0.86 PRKCQ (0.47) PLD1PRKCQPRKCDHDAC1ACVR1
SCHEMBL1127392 0.83 PLD1 (0.58) PLD1ALDH1A1HPGDHSD17B10MEN1
SCHEMBL7801440 0.83 PLD1 (0.58) PLD1ALDH1A1HPGDHSD17B10MEN1
SCHEMBL13149760 0.81 PLD1 (0.51) PLD1HDAC1ALDH1A1HPGDHSD17B10

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 86 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198216-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX LLC (US) 2021-07-01 US disclosed
US-10781185-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2020-09-22 US disclosed
CN-110167926-A POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS 米托布里奇公司 2019-08-23 CN disclosed
US-9884860-B2 Fused pyrroledicarboxamides and their use as pharmaceuticals SANOFI (FR) 2018-02-06 US disclosed
US-9884860-B2 Fused pyrroledicarboxamides and their use as pharmaceuticals SANOFI (FR) 2018-02-06 US disclosed
US-9884860-B2 Fused pyrroledicarboxamides and their use as pharmaceuticals SANOFI (FR) 2018-02-06 US disclosed
US-9868708-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2018-01-16 US disclosed
US-9868708-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2018-01-16 US disclosed
EP-2809669-B1 FUSED PYRROLEDICARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-02-01 EP disclosed
EP-2809669-B1 FUSED PYRROLEDICARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-02-01 EP disclosed
US-20040127504-A1 Benzimidazoles that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2004-07-01 US disclosed
US-20040110766-A1 Benzimidazoles that are useful in treating sexual dysfunction ABBVIE INC. 2004-06-10 US disclosed
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2004-02-12 US disclosed
EP-1373220-A1 BENZIMIDAZOLES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2004-01-02 EP disclosed
US-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2003-12-11 US disclosed
WO-2003076431-A1 BENZIMIDAZOLE-DERIVATIVES FOR THE TREATMENT OF SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2003-09-18 WO disclosed
US-20030162790-A1 Benzimidazoles that are useful in treating sexual dysfunction ABBVIE INC. 2003-08-28 US disclosed
US-20020169166-A1 Benzimidazoles that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2002-11-14 US disclosed
US-20020169167-A1 Benzimidazoles that are useful in treating sexual dysfunction ABBVIE INC. 2002-11-14 US disclosed
WO-2002088093-A1 BENZIMIDAZOLES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2002-11-07 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 (9 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-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 PLD1 1276/4885PRKCQ 3869/4885PRKCD 4103/4885
US-20210198216-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 PLD1 1237/4885PRKCQ 201/4885PRKCD 380/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 PLD1 1276/4885PRKCQ 3869/4885PRKCD 4103/4885
US-20020169167-A1 Benzimidazoles that are useful in treating sexual dysfunction CYP19A1, CYP51A1, CYP17A1 PLD1 1846/4885PRKCQ 3946/4885PRKCD 4027/4885
US-20040127504-A1 Benzimidazoles that are useful in treating sexual dysfunction CYP19A1, CYP51A1, CYP17A1 PLD1 1846/4885PRKCQ 3946/4885PRKCD 4027/4885
US-20020169166-A1 Benzimidazoles that are useful in treating sexual dysfunction CYP19A1, CYP51A1, CYP17A1 PLD1 1846/4885PRKCQ 3946/4885PRKCD 4027/4885
US-20030162790-A1 Benzimidazoles that are useful in treating sexual dysfunction CYP19A1, CYP51A1, CYP17A1 PLD1 1846/4885PRKCQ 3946/4885PRKCD 4027/4885
US-10781185-B2 Heterocyclic compounds for the inhibition of PASK PASK, PDXK, PANK2 PLD1 1237/4885PRKCQ 201/4885PRKCD 380/4885
US-20040110766-A1 Benzimidazoles that are useful in treating sexual dysfunction CYP19A1, CYP51A1, CYP17A1 PLD1 1846/4885PRKCQ 3946/4885PRKCD 4027/4885

“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.